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

C9H11NO2CAS 13227-01-5165.19 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 4-Hydroxyphenylglycine938-97-668 % similar Phenylglycine2835-06-565 % similar L-Phenylglycine2935-35-565 % similar DL-Phenylglycine69-91-065 % similar (-)-Phenylglycine875-74-165 % similar (S)-4-Fluorophenylglycine19883-57-964 % 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 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5 3-(3-Aminophenyl)propionic acid1664-54-6

Elsewhere

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