(2S)-2-amino-3-(2-cyanophenyl)propanoic acid

(2S)-2-amino-3-(2-cyanophenyl)propanoic acid

CAS: 263396-42-5

Formula: C10H10N2O2

SMILES: N[C@@H](CC1=CC=CC=C1C#N)C(O)=O

IUPAC: (2S)-2-amino-3-(2-cyanophenyl)propanoic acid

InChI: InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 190.202

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	190.07422757
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OCDHPLVCNWBKJN-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.84
Topological Polar Surface Area	87.11
Polarizability	19.73
Ring Count	1
Rotatable Bond Count	3

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