| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2009 | 11 | Yes |
Popular Name: tert-butyl (2R)-2-aminobutanoate tert-butyl (2R)-2-aminobutanoate
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CAS Numbers: 313994-32-0 , 53956-05-1 , [53956-05-1]
(s)-2-aminobutyricacidt-butylesterhydrochloride
Butanoic acid, 2-amino-, 1,1-dimethylethyl ester, (2R)- (9CI)
D-2-Aminobutyric acid tert-butyl ester HCl
L-2-Amino-N-Butyric Acid Tert -Butylester Hydrochloride [53956-05-1]; (H-2-Abu-OtBu . HCl)
L-2-Aminobutyric acid tert-butyl ester HCl
L-2-Aminobutyric acid tert.butyl ester hydrochloride
L-a-AMINOBUTYRIC ACID TERT-BUTYLESTER HYDROCHLORIDE; [53956-05-1]
| 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 (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.10 | 3.17 | -39.75 | 3 | 3 | 1 | 54 | 160.237 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 2.85 | -2.88 | 2 | 3 | 0 | 52 | 159.229 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 190o C (d) | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0792280A1; US5529984; US6153375 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.