2-Amino-2-(4-methylphenyl)acetic acid

C₉H₁₁NO₂CAS 13227-01-5165.19 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
logP: 1.08Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

13227-01-5

SMILES

CC1=CC=C(C=C1)C(C(=O)O)N

InChIKey

RZRRCPHBUKHOEY-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)

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Work with 2-Amino-2-(4-methylphenyl)acetic 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

D-P-Hydroxyphenylglycine22818-40-268 % similar Oxfenicine32462-30-968 % similar Dl-P-hydroxyphenylglycine938-97-668 % similar L-Phenylglycine2935-35-565 % similar Dl-phenylglycine69-91-065 % similar (-)-Phenylglycine875-74-165 % similar α-Amino-4-chlorobenzeneacetic acid6212-33-564 % similar α-Amino-4-chlorobenzeneacetic acid7292-70-864 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4 N-(Phenylmethyl)glycine17136-36-6

Elsewhere

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