5-{2-[2-(benzyloxy)-2-oxoethyl]-3-oxopiperazin-1-yl}-5-oxopentanoic acid

5-{2-[2-(benzyloxy)-2-oxoethyl]-3-oxopiperazin-1-yl}-5-oxopentanoic acid

CAS: 1025063-23-3

Formula: C18H22N2O6

SMILES: OC(=O)CCCC(=O)N1CCNC(=O)C1CC(=O)OCC1=CC=CC=C1

IUPAC: 5-{2-[2-(benzyloxy)-2-oxoethyl]-3-oxopiperazin-1-yl}-5-oxopentanoic acid

InChI: InChI=1/C18H22N2O6/c21-15(7-4-8-16(22)23)20-10-9-19-18(25)14(20)11-17(24)26-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,25)(H,22,23)

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 362.382

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	362.147786436
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HSYZRWPDWZHHHX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.5
Topological Polar Surface Area	113.01
Polarizability	35.5
Ring Count	2
Rotatable Bond Count	9

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