N-(2-hydroxybenzylidene)valine
2-[(2-hydroxyphenyl)methylideneamino]-3-methylbutanoic acid
Also Known As: N-(2-hydroxybenzylidene)valine|J1.122.531D|J3.035.206H|2-[(2-Hydroxybenzylidene)amino]isovaleric acid|2-(2-Hydroxybenzylideneamino)-3-methylbutanoic acid|2-[(2-Hydroxybenzylidene)amino]-3-methylbutanoic acid|2-[(E)-2-Hydroxybenzylideneamino]-3-methylbutanoic acid|2-{[(2-hydroxyphenyl)methylidene]amino}-3-methylbutanoic acid|2-[(E)-[(2-hydroxyphenyl)methylidene]amino]-3-methylbutanoic acid|3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]a|3-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butanoic acid|3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanoic acid|3-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanoic acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.1052 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Monoisotopic Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 53100-46-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N=CC1=CC=CC=C1O |
| InChIKey | RUNAUAUFPNXLFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-hydroxybenzylidene)valine (CAS 53100-46-2), with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol. IUPAC: 2-[(2-hydroxyphenyl)methylideneamino]-3-methylbutanoic acid.