(2R)-2-{[(benzyloxy)carbonyl]amino}pent-4-enoic acid

(2R)-2-{[(benzyloxy)carbonyl]amino}pent-4-enoic acid

CAS: 127474-54-8

Formula: C13H15NO4

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

IUPAC: (2R)-2-{[(benzyloxy)carbonyl]amino}pent-4-enoic acid

InChI: InChI=1S/C13H15NO4/c1-2-6-11(12(15)16)14-13(17)18-9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,14,17)(H,15,16)/t11-/m1/s1

Composition: C (62.64%), H (6.07%), N (5.62%), O (25.67%)

Molar Mass: 249.266

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	249.100107967
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DGEZDWGCGXHLEW-LLVKDONJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.35
Topological Polar Surface Area	75.63
Polarizability	25.42
Ring Count	1
Rotatable Bond Count	7

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