3-Amino-3-(4-methylphenyl)propanoic acid

C₁₀H₁₃NO₂CAS 68208-18-4179.22 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₂
Molar mass: 179.22 g/mol
Exact mass: 179.0946 Da
logP: 1.47Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68208-18-4

SMILES

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

InChIKey

XPDAKEOBPKFUAH-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)

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Names and synonyms

1 names

3-Amino-3-(4-methylphenyl)propionic acid

Work with 3-Amino-3-(4-methylphenyl)propanoic 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

3-Amino-3-(3-methylphenyl)propanoic acid68208-17-368 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-968 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-868 % similar DL-β-Phenylalanine614-19-768 % similar β-Amino-4-ethylbenzenepropanoic acid117391-52-368 % similar (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-367 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-467 % similar (R)-3-Amino-3-(4-fluorophenyl)-propionic acid151911-23-867 % similar

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

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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