chempirical

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

C10H13NO2CAS 68208-17-3179.22 g/mol

Open in Covalent MOL file
OHOH2N
Carboxylic acidPrimary 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 Ų
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
68208-17-3
SMILES
CC1=CC(=CC=C1)C(CC(=O)O)N
InChIKey
HMLYKNGYKKJNLC-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)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-M-tolyl-propionic acid

Work with 3-Amino-3-(3-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-phenylpropanoic acid13921-90-969 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-869 % similar DL-β-Phenylalanine614-19-769 % similar 3-Amino-3-(4-methylphenyl)propanoic acid68208-18-468 % similar β-Amino-3-fluorobenzenepropanoic acid117391-51-268 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-268 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-968 % similar Dl-beta-(3-bromophenyl)alanine117391-50-166 % 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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