(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C14H16FNO3 — CID 16526221

IUPAC(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESNC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)14(6-1-2-7-14)13(18)19-9-12(16)17/h3-5,8H,1-2,6-7,9H2,(H2,16,17)
InChIKeyOVHNOZPRBBGWDX-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.67
Rot. Bonds4

About (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate

(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 16526221) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID16526221
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESNC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)14(6-1-2-7-14)13(18)19-9-12(16)17/h3-5,8H,1-2,6-7,9H2,(H2,16,17)
InChIKeyOVHNOZPRBBGWDX-UHFFFAOYSA-N
XLogP1.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2445225
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314215
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980138
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314295
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2097143
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7824908
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 18275489

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 16526221) is (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate is NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is OVHNOZPRBBGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)14(6-1-2-7-14)13(18)19-9-12(16)17/h3-5,8H,1-2,6-7,9H2,(H2,16,17).
What are the key properties of (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 16526221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).