2,5-dioxopyrrolidin-1-yl 3-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)propanoate

2,5-dioxopyrrolidin-1-yl 3-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)propanoate

CAS: 2243565-12-8

Formula: C22H30N2O8

SMILES: O=C(CCOCCOCCNC(=O)OCC1C2CCC#CCCC12)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 3-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]propanoate

InChI: InChI=1/C22H30N2O8/c25-19-7-8-20(26)24(19)32-21(27)9-11-29-13-14-30-12-10-23-22(28)31-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,23,28)

Composition: C (58.66%), H (6.71%), N (6.22%), O (28.41%)

Molar Mass: 450.488

Atom Count: 62

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	450.200215934
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HVVMKCPRACMDSI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.41
Topological Polar Surface Area	120.47
Polarizability	43.5
Ring Count	3
Rotatable Bond Count	14

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