3-amino-3-(4-cyanophenyl)propanoic acid

3-amino-3-(4-cyanophenyl)propanoic acid

CAS: 80971-95-5

Formula: C10H10N2O2

SMILES: NC(CC(O)=O)C1=CC=C(C=C1)C#N

IUPAC: 3-amino-3-(4-cyanophenyl)propanoic acid

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

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	JFPLLJRLBHIJPS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.71
Topological Polar Surface Area	87.11
Polarizability	19.72
Ring Count	1
Rotatable Bond Count	3

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