3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid

C14H17F2NO3 — CID 79648627

IUPAC3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C14H17F2NO3/c1-2-17-14(13(18)19)7-6-9(8-14)20-11-5-3-4-10(15)12(11)16/h3-5,9,17H,2,6-8H2,1H3,(H,18,19)
InChIKeyYVSOHNILVKINLZ-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.33
Rot. Bonds5

About 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid

3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79648627) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79648627
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C14H17F2NO3/c1-2-17-14(13(18)19)7-6-9(8-14)20-11-5-3-4-10(15)12(11)16/h3-5,9,17H,2,6-8H2,1H3,(H,18,19)
InChIKeyYVSOHNILVKINLZ-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide
CID 79644449
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693
[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
CID 79645266
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79649081
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79648140
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648862

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79648627) is 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(Oc2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YVSOHNILVKINLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-2-17-14(13(18)19)7-6-9(8-14)20-11-5-3-4-10(15)12(11)16/h3-5,9,17H,2,6-8H2,1H3,(H,18,19).
What are the key properties of 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 285.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).