| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 15 | Yes |
Popular Name: (S)-Methyl 2-acetamido-3-(1H-imidazol-4-yl)propanoate (S)-Methyl 2-acetamido-3-(1H-imi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 36097-48-0 , 88530-34-1
(S)-Methyl2-acetamido-3-(1H-imidazol-4-yl)propanoate
Acetyl-L-histidine methyl ester
L-Histidine, N-acetyl-, methyl ester
methyl (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoate
methyl (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoate hydrochloride
| 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) | -0.66 | 3.39 | -13.51 | 2 | 6 | 0 | 84 | 211.221 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 3.43 | -50.53 | 3 | 6 | 1 | 85 | 212.229 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 3.34 | -13.93 | 2 | 6 | 0 | 84 | 211.221 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 116 - 118 | Enamine Building Blocks |
| MP | 116...118 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
