| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 14 | Yes |
Popular Name: Methyl 3-amino-4-phenylbutanoate Methyl 3-amino-4-phenylbutanoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1001427-55-9 , 129042-93-9 , [129042-93-9]
3-Amino-4-phenyl-butyric acid methyl ester
Methyl 3-amino-4-phenylbutanoate hydrochloride
METHYL3-AMINO-4-PHENYLBUTANOATE
| 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) | 0.80 | 4.85 | -41.31 | 3 | 3 | 1 | 54 | 194.254 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 4.58 | -7.27 | 2 | 3 | 0 | 52 | 193.246 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.