3-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)propanoic acid

3-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)propanoic acid

CAS: 1993134-72-7

Formula: C18H27NO6

SMILES: OC(=O)CCOCCOCCNC(=O)OCC1C2CCC#CCCC12

IUPAC: 3-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]propanoic acid

InChI: InChI=1/C18H27NO6/c20-17(21)7-9-23-11-12-24-10-8-19-18(22)25-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,19,22)(H,20,21)

Composition: C (61.17%), H (7.70%), N (3.96%), O (27.16%)

Molar Mass: 353.415

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	353.183837593
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	IAUAMLUNAMJRHF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.86
Topological Polar Surface Area	94.09
Polarizability	35.23
Ring Count	2
Rotatable Bond Count	12

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