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2-amino-5-{[(benzyloxy)carbonyl]amino}pentanoic acid

2-amino-5-{[(benzyloxy)carbonyl]amino}pentanoic acid

CAS: 3304-51-6

Formula: C13H18N2O4

SMILES: NC(CCCNC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: 2-amino-5-{[(benzyloxy)carbonyl]amino}pentanoic acid

InChI: InChI=1/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)

Composition: C (58.63%), H (6.81%), N (10.52%), O (24.03%)

Molar Mass: 266.297

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 266.126657068
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VULSXQYFUHKBAN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.89
Topological Polar Surface Area 101.65
Polarizability 27.19
Ring Count 1
Rotatable Bond Count 8

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