[2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C17H20FNO3 — CID 2359380

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CC1
InChIInChI=1S/C17H20FNO3/c18-14-6-2-1-5-13(14)17(9-3-4-10-17)16(21)22-11-15(20)19-12-7-8-12/h1-2,5-6,12H,3-4,7-11H2,(H,19,20)
InChIKeyGKVMLOHRMMWXBP-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.46
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2359380) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2359380
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CC1
InChIInChI=1S/C17H20FNO3/c18-14-6-2-1-5-13(14)17(9-3-4-10-17)16(21)22-11-15(20)19-12-7-8-12/h1-2,5-6,12H,3-4,7-11H2,(H,19,20)
InChIKeyGKVMLOHRMMWXBP-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2359380) is [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is GKVMLOHRMMWXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-14-6-2-1-5-13(14)17(9-3-4-10-17)16(21)22-11-15(20)19-12-7-8-12/h1-2,5-6,12H,3-4,7-11H2,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 305.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2359380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).