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8-[(tert-butoxycarbonyl)amino]cyclooct-4-ene-1-carboxylic acid

8-[(tert-butoxycarbonyl)amino]cyclooct-4-ene-1-carboxylic acid

CAS: 1335031-51-0

Formula: C14H23NO4

SMILES: CC(C)(C)OC(=O)NC1CCC=CCCC1C(O)=O

IUPAC: 8-{[(tert-butoxy)carbonyl]amino}cyclooct-4-ene-1-carboxylic acid

InChI: InChI=1/C14H23NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10(11)12(16)17/h4-5,10-11H,6-9H2,1-3H3,(H,15,18)(H,16,17)

Composition: C (62.43%), H (8.61%), N (5.20%), O (23.76%)

Molar Mass: 269.341

Atom Count: 42

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 269.162708225
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GYKQFUNUXXJHMV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.21
Topological Polar Surface Area 75.63
Polarizability 28
Ring Count 1
Rotatable Bond Count 4

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