7-{[(benzyloxy)carbonyl]amino}heptanoic acid

7-{[(benzyloxy)carbonyl]amino}heptanoic acid

CAS: 23434-37-9

Formula: C15H21NO4

SMILES: OC(=O)CCCCCCNC(=O)OCC1=CC=CC=C1

IUPAC: 7-{[(benzyloxy)carbonyl]amino}heptanoic acid

InChI: InChI=1S/C15H21NO4/c17-14(18)10-6-1-2-7-11-16-15(19)20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,19)(H,17,18)

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XBVBOABWPAYAFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.94
Topological Polar Surface Area	75.63
Polarizability	29.33
Ring Count	1
Rotatable Bond Count	10

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