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2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid hydrochloride

2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid hydrochloride

CAS: 4876-14-6

Formula: C12H13ClN2O3

SMILES: Cl[H].NC(CC1=CC(=O)NC2=CC=CC=C12)C(O)=O

IUPAC: 2-amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid hydrochloride

InChI: InChI=1/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

Composition: C (53.64%), H (4.88%), Cl (13.19%), N (10.43%), O (17.86%)

Molar Mass: 268.7

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 268.06147
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey MPTXVJCCTVAVNL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.58
Topological Polar Surface Area 92.42
Polarizability 23.66
Ring Count 2
Rotatable Bond Count 3

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