2-amino-3-(quinolin-2-yl)propanoic acid

2-amino-3-(quinolin-2-yl)propanoic acid

CAS: 123761-12-6

Formula: C12H12N2O2

SMILES: NC(CC1=NC2=CC=CC=C2C=C1)C(O)=O

IUPAC: 2-amino-3-(quinolin-2-yl)propanoic acid

InChI: InChI=1/C12H12N2O2/c13-10(12(15)16)7-9-6-5-8-3-1-2-4-11(8)14-9/h1-6,10H,7,13H2,(H,15,16)

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	216.089877634
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CRSSRGSNAKKNNI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.46
Topological Polar Surface Area	76.21
Polarizability	24.51
Ring Count	2
Rotatable Bond Count	3

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