(R)-4-Amino-3-(naphthalen-1-yl)butanoic acid

C₁₄H₁₅NO₂CAS 108827-19-6229.28 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₄H₁₅NO₂
Molar mass: 229.28 g/mol
Exact mass: 229.1103 Da
logP: 2.36Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

108827-19-6

SMILES

C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)CN

InChIKey

BEGWVSISKCDDQP-UHFFFAOYSA-N

InChI

InChI=1S/C14H15NO2/c15-9-11(8-14(16)17)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9,15H2,(H,16,17)

Weigh it out

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

Work with (R)-4-Amino-3-(naphthalen-1-yl)butanoic 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

Phenibut1078-21-360 % similar Baclofen1134-47-052 % similar (-)-Baclofen69308-37-852 % similar 1-Naphthaleneacetic acid86-87-351 % similar 3-Phenylglutaric acid4165-96-248 % similar 1-Cyclopropylnaphthalene25033-19-647 % similar β-Amino-2-chlorobenzenepropanoic acid68208-20-846 % similar Fluorene-9-acetic acid6284-80-645 % similar

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

Same formula

Bis(4-methoxyphenyl)amine101-70-2 (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-1

Elsewhere

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