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Quick Search ZINC ID or SMILES

Synonyms (8)
Vendors (18)
Annotations (4)
Representations (1)
Notes (3)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (17)

ZINC04698814

4698814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
December 30^th, 2005	12	Yes

Popular Name: N,N-diethyl-2-pyrrolidinecarboxamide hydrochloride N,N-diethyl-2-pyrrolidinecarboxa…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1018331-52-6 , 1048649-03-1 , 41721-01-1 , N/A

Other Names:

2-Pyrrolidinecarboxamide, N,N-diethyl-, (2S)- (9CI)

2-pyrrolidinecarboxamide, N,N-diethyl-, monohydrochloride

DIETHYLPYRROLIDINECARBOXAMIDEHYDROCHLORID

N,N-diethylpyrrolidine-2-carboxamide

N,N-diethylpyrrolidine-2-carboxamide hydrochloride

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	3.63	-36.74	2	3	1	37	171.264	3	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID	EP0156191A2; US4550107	IBM Patent Data
Warnings	IRRITANT	Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

4899796
37023365
37023396
37023398
37082373
37096253
37096254
37098532
37098533
37110328

Zinc Item 37110329

Zinc Item 37110329

Analogs

19411026

Popular Name: (2S)-N-methyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-methyl-N-[(1S)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.36	-35.96	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110329

Zinc Item 37110330

Zinc Item 37110330

Analogs

19411026

Popular Name: (2R)-N-methyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-methyl-N-[(1R)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.35	-35.42	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110330

Zinc Item 37110331

Zinc Item 37110331

Analogs

19411026

Popular Name: (2R)-N-methyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-methyl-N-[(1S)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.35	-35.46	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110331

Zinc Item 37113301

Zinc Item 37113301

Analogs

19411026

Popular Name: (2S)-N-ethyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-ethyl-N-[(1R)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	4.94	-35.04	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113301

Zinc Item 37113302

Zinc Item 37113302

Analogs

19411026

Popular Name: (2S)-N-ethyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-ethyl-N-[(1S)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.16	-35.65	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113302

Zinc Item 37113303

Zinc Item 37113303

Analogs

19411026

Popular Name: (2R)-N-ethyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-ethyl-N-[(1R)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.17	-35.13	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113303

Zinc Item 37113304

Zinc Item 37113304

Analogs

19411026

Popular Name: (2R)-N-ethyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-ethyl-N-[(1S)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.1	-35.54	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113304

Synonyms (8)
Vendors (18)
Annotations (4)
Representations (1)
Notes (3)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (17)