1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H20FNO3 — CID 43529529

IUPAC1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCc1ccccc1F
InChIInChI=1S/C16H20FNO3/c17-13-6-2-1-5-12(13)7-10-18-14(19)11-16(15(20)21)8-3-4-9-16/h1-2,5-6H,3-4,7-11H2,(H,18,19)(H,20,21)
InChIKeyZPIZPAGMDRHYPX-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43529529) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43529529
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCc1ccccc1F
InChIInChI=1S/C16H20FNO3/c17-13-6-2-1-5-12(13)7-10-18-14(19)11-16(15(20)21)8-3-4-9-16/h1-2,5-6H,3-4,7-11H2,(H,18,19)(H,20,21)
InChIKeyZPIZPAGMDRHYPX-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63377776
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397115
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641781
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43529529) is 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCCc1ccccc1F.
What is the InChIKey of 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZPIZPAGMDRHYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-6-2-1-5-12(13)7-10-18-14(19)11-16(15(20)21)8-3-4-9-16/h1-2,5-6H,3-4,7-11H2,(H,18,19)(H,20,21).
What are the key properties of 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43529529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).