(2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid

C₁₁H₁₁NO₃CAS 15329-69-8205.21 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
Melting point: 138 °C
logP: 1.78Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

15329-69-8

SMILES

O=C(O)/C=CC(O)=NCc1ccccc1

InChIKey

BHWGQIYJCMMSNM-SREVYHEPSA-N

InChI

InChI=1S/C11H11NO3/c13-10(6-7-11(14)15)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6-

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2-Butenoic acid, 4-oxo-4-[(phenylmethyl)amino]-, (2Z)-
Maleamic acid, N-benzyl-
2-Butenoic acid, 4-oxo-4-[(phenylmethyl)amino]-, (Z)-
N-Benzylmaleamic acid

Work with (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Phenylmaleamic acid555-59-961 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-247 % similar Cinnamic acid140-10-346 % similar Cinnamic acid621-82-946 % similar N-Benzylbenzamide1485-70-745 % similar N-Benzylacetamide588-46-545 % similar 3-Oxo-N-(phenylmethyl)butanamide882-36-044 % similar 5-Phenyl-2,4-pentadienoic acid1552-94-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 Indole-3-lactic acid1821-52-9 Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-1 3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-3

Elsewhere

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