3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid

C15H19F2NO3 — CID 79648140

IUPAC3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H19F2NO3/c1-2-7-18-15(14(19)20)6-5-11(9-15)21-10-3-4-12(16)13(17)8-10/h3-4,8,11,18H,2,5-7,9H2,1H3,(H,19,20)
InChIKeyZBZIVKZLHZEGGB-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.72
Rot. Bonds6

About 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid

3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79648140) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79648140
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H19F2NO3/c1-2-7-18-15(14(19)20)6-5-11(9-15)21-10-3-4-12(16)13(17)8-10/h3-4,8,11,18H,2,5-7,9H2,1H3,(H,19,20)
InChIKeyZBZIVKZLHZEGGB-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79649081
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648627
1-amino-3-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79649166
3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649371
3-(3,4-difluorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654443
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648862
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
[3-(2,3-dihydro-1H-inden-5-yloxy)-1-(propylamino)cyclopentyl]methanol
CID 79646252

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79648140) is 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(Oc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZBZIVKZLHZEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-2-7-18-15(14(19)20)6-5-11(9-15)21-10-3-4-12(16)13(17)8-10/h3-4,8,11,18H,2,5-7,9H2,1H3,(H,19,20).
What are the key properties of 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid?
3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 299.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).