3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid

C9H15F2NO2 — CID 165466793

IUPAC3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid
SMILESCN(CC(F)(F)C(=O)O)C1CCCC1
InChIInChI=1S/C9H15F2NO2/c1-12(7-4-2-3-5-7)6-9(10,11)8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyPLMWYSQQYATEEJ-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.58
Rot. Bonds4

About 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid

3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid (PubChem CID 165466793) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid
PubChem CID165466793
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid
SMILESCN(CC(F)(F)C(=O)O)C1CCCC1
InChIInChI=1S/C9H15F2NO2/c1-12(7-4-2-3-5-7)6-9(10,11)8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyPLMWYSQQYATEEJ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid (CID 165466793) is 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid is CN(CC(F)(F)C(=O)O)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid?
The InChIKey is PLMWYSQQYATEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12(7-4-2-3-5-7)6-9(10,11)8(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid?
3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid has a molecular weight of 207.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid is sourced from PubChem (CID 165466793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).