(βR)-β-Amino-1-naphthalenebutanoic acid

C₁₄H₁₅NO₂CAS 269398-88-1229.28 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: 2.18Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

269398-88-1

SMILES

N[C@@H](CC(=O)O)Cc1cccc2ccccc12

InChIKey

VEJIDCKYNSOIIN-GFCCVEGCSA-N

InChI

InChI=1S/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17)/t12-/m1/s1

Weigh it out

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

Names and synonyms

3 names

1-Naphthalenebutanoic acid, β-amino-, (βR)-
(R)-3-Amino-4-(1-naphthyl)butyric acid
(R)-3-Amino-4-(1-naphthyl)butanoic acid

Work with (βR)-β-Amino-1-naphthalenebutanoic 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

(βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-669 % similar 1-Naphthaleneacetic acid86-87-362 % similar β-Aminobenzenebutanoic acid15099-85-161 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-256 % similar (βS)-β-Amino-2,4-dichlorobenzenebutanoic acid270063-47-353 % similar (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-352 % similar (βS)-β-Amino-3-fluorobenzenebutanoic acid270596-50-452 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-naphthalenebutanoic acid190190-49-952 % similar

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

Same formula

Bis(4-methoxyphenyl)amine101-70-2 (R)-4-Amino-3-(naphthalen-1-yl)butanoic acid108827-19-6

Elsewhere

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