1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid

C15H17F2NO3 — CID 79644441

IUPAC1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H17F2NO3/c16-9-5-10(17)7-13(6-9)21-12-3-4-15(8-12,14(19)20)18-11-1-2-11/h5-7,11-12,18H,1-4,8H2,(H,19,20)
InChIKeyXFGNIYZWZLSDFE-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.47
Rot. Bonds5

About 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid (PubChem CID 79644441) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid
PubChem CID79644441
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H17F2NO3/c16-9-5-10(17)7-13(6-9)21-12-3-4-15(8-12,14(19)20)18-11-1-2-11/h5-7,11-12,18H,1-4,8H2,(H,19,20)
InChIKeyXFGNIYZWZLSDFE-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid (CID 79644441) is 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is XFGNIYZWZLSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-9-5-10(17)7-13(6-9)21-12-3-4-15(8-12,14(19)20)18-11-1-2-11/h5-7,11-12,18H,1-4,8H2,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79644441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).