chempirical

(S)-3-Amino-4-(1-naphthyl)butanoic acid hydrochloride

C14H16ClNO2CAS 270063-00-8265.74 g/mol

Open in Covalent MOL file
OOHNH2HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C14H16ClNO2
Molar mass
265.74 g/mol
Exact mass
265.0870 Da
logP
2.61Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
270063-00-8
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@@H](CC(=O)O)N.Cl
InChIKey
AZXBBARHJITLTI-YDALLXLXSA-N
InChI
InChI=1S/C14H15NO2.ClH/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);1H/t12-;/m0./s1

Weigh it out

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

Names and synonyms

1 names
  • (S)-3-Amino-4-(naphthalen-1-yl)butanoic acid hydrochloride

Work with (S)-3-Amino-4-(1-naphthyl)butanoic acid hydrochloride

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

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.

(βR)-β-Amino-1-naphthalenebutanoic acid269398-88-1Free base, enantiomer

Similar compounds

(R)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride268734-28-771 % similar (S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride246876-92-667 % similar L-Beta-homotryptophan hydrochloride192003-01-365 % similar (R)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride269398-95-065 % similar (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride270063-44-065 % similar (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-664 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-263 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-463 % similar

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

Same formula

(R)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride269398-90-5 (S)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride270063-39-3

Elsewhere

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