chempirical

(S)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride

C14H16ClNO2CAS 270063-39-3265.74 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
270063-39-3
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@@H](CC(=O)O)N.Cl
InChIKey
BWSJJEOZKOCDCT-ZOWNYOTGSA-N
InChI
InChI=1S/C14H15NO2.ClH/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10;/h1-7,13H,8-9,15H2,(H,16,17);1H/t13-;/m0./s1

Weigh it out

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

Work with (S)-3-Amino-4-(2-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.

(R)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride269398-90-5Enantiomer

Similar compounds

(S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-270 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-470 % similar (S)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride270596-38-864 % similar (R)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride269398-82-563 % similar β-Aminobenzenebutanoic acid15099-85-163 % similar (2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride122745-12-462 % similar (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-961 % similar (S)-3-Amino-4-(4-bromophenyl)butanoic acid hydrochloride270062-84-561 % similar

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

Same formula

(S)-3-Amino-4-(1-naphthyl)butanoic acid hydrochloride270063-00-8

Elsewhere

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