(βR)-β-Amino-1-naphthalenebutanoic acid
Properties
- Molecular formula
- C14H15NO2
- Molar mass
- 229.28 g/mol
- Exact mass
- 229.1103 Da
- logP
- 2.18Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
269398-88-1SMILES
N[C@@H](CC(=O)O)Cc1cccc2ccccc12InChIKey
VEJIDCKYNSOIIN-GFCCVEGCSA-NInChI
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/s1Weigh 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-669 % similar
(R)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride268734-28-764 % similar
1-Naphthaleneacetic acid86-87-362 % similar
β-Aminobenzenebutanoic acid15099-85-161 % similar
(S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride246876-92-660 % similar
3-(1-Naphthyl)-propionic acid3243-42-359 % similar
L-Beta-homotryptophan hydrochloride192003-01-359 % similar
(R)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride269398-95-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.