2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride

C₁₂H₁₃ClN₂O₃CAS 4876-14-6268.70 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₁₃ClN₂O₃
Molar mass: 268.70 g/mol
Exact mass: 268.0615 Da
logP: 0.90Crippen estimate
Polar surface area: 96.2 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4876-14-6

SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N.Cl

InChIKey

MPTXVJCCTVAVNL-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O3.ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);1H

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Names and synonyms

1 names

Dl-3-(1,2-dihydro-2-oxo-quinoline-4-yl)alanine hydrochloride

Work with 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic 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.

2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid5162-90-3Free base

Similar compounds

D-Tryptophan153-94-661 % similar (±)-Tryptophan54-12-661 % similar Tryptophan73-22-361 % similar Dl-3-(1-naphthyl)alanine28095-56-953 % similar L-1-Naphthylalanine55516-54-653 % similar D-1-Naphthylalanine78306-92-053 % similar 2-Chloro-L-phenylalanine103616-89-350 % similar 2-Chloro-D-phenylalanine80126-50-750 % similar

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

Elsewhere

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