2-Amino-2-phenylbutyric acid

C₁₀H₁₃NO₂CAS 5438-07-3179.22 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
Melting point: 275 °C
logP: 1.34Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

5438-07-3

SMILES

CCC(N)(C(=O)O)c1ccccc1

InChIKey

UBXUDSPYIGPGGP-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

9 names

Benzeneacetic acid, α-amino-α-ethyl-
Butyric acid, 2-amino-2-phenyl-
α-Amino-α-ethylbenzeneacetic acid
2-Ethyl-2-phenylglycine
NSC 16593
2-Amino-2-phenylbutanoic acid
(±)-2-Amino-2-phenylbutyric acid
DL-2-Amino-2-phenylbutyric acid
2-Azaniumyl-2-phenylbutanoate

Work with 2-Amino-2-phenylbutyric 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

2-Ethyl-2-phenylbutyric acid5465-28-162 % similar 2,2-Diphenylglycine3060-50-253 % similar 2,2-Diphenylpropionic acid5558-66-749 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-249 % similar 2-Methyl-2-phenylpropanoic acid826-55-149 % similar Triphenylacetic acid595-91-548 % similar 1-Phenylcyclopentanecarboxylic acid77-55-446 % similar Phenobarbital50-06-645 % 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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