(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid

(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid

CAS: 117467-73-9

Formula: C17H16FNO4

SMILES: OC(=O)[C@@H](CC1=CC=C(F)C=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: (2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid

InChI: InChI=1S/C17H16FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m1/s1

Composition: C (64.35%), H (5.08%), F (5.99%), N (4.41%), O (20.17%)

Molar Mass: 317.316

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	317.106336162
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YJSNXFAVHKHBPV-OAHLLOKOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.01
Topological Polar Surface Area	75.63
Polarizability	31.25
Ring Count	2
Rotatable Bond Count	7

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