(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carbamoylbutanoic acid

(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carbamoylbutanoic acid

CAS: 2650-64-8

Formula: C13H16N2O5

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

IUPAC: (2S)-2-{[(benzyloxy)carbonyl]amino}-4-carbamoylbutanoic acid

InChI: InChI=1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m0/s1

Composition: C (55.71%), H (5.75%), N (10.00%), O (28.54%)

Molar Mass: 280.28

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	280.105921623
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	JIMLDJNLXLMGLX-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.79
Topological Polar Surface Area	118.72
Polarizability	26.95
Ring Count	1
Rotatable Bond Count	8

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