1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid

C11H17F2NO2 — CID 68727994

IUPAC1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(NC1CCC(F)(F)C1)C1(C(=O)O)CC1
InChIInChI=1S/C11H17F2NO2/c1-7(10(4-5-10)9(15)16)14-8-2-3-11(12,13)6-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyGOAGELVQLJTOGR-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.02
Rot. Bonds4

About 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid

1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 68727994) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid
PubChem CID68727994
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(NC1CCC(F)(F)C1)C1(C(=O)O)CC1
InChIInChI=1S/C11H17F2NO2/c1-7(10(4-5-10)9(15)16)14-8-2-3-11(12,13)6-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyGOAGELVQLJTOGR-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid (CID 68727994) is 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid is CC(NC1CCC(F)(F)C1)C1(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is GOAGELVQLJTOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-7(10(4-5-10)9(15)16)14-8-2-3-11(12,13)6-8/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid?
1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,3-difluorocyclopentyl)amino]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68727994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).