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6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid

6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid

CAS: 2212-75-1

Formula: C14H20N2O4

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

IUPAC: 6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid

InChI: InChI=1/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)

Composition: C (59.99%), H (7.19%), N (9.99%), O (22.83%)

Molar Mass: 280.324

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 280.142307132
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey OJTJKAUNOLVMDX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.49
Topological Polar Surface Area 101.65
Polarizability 29.02
Ring Count 1
Rotatable Bond Count 9

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