3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid

C13H19F2NO3 — CID 122108448

IUPAC3-[1-(2,2-difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
SMILESCC1(CC1(F)F)C(=O)N2CCCC(C2)CCC(=O)O
InChIInChI=1S/C13H19F2NO3/c1-12(8-13(12,14)15)11(19)16-6-2-3-9(7-16)4-5-10(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyCLKUATWZUWTKSN-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.50
Rot. Bonds4

About 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid

3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid (PubChem CID 122108448) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-[1-(2,2-difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
PubChem CID122108448
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-[1-(2,2-difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
SMILESCC1(CC1(F)F)C(=O)N2CCCC(C2)CCC(=O)O
InChIInChI=1S/C13H19F2NO3/c1-12(8-13(12,14)15)11(19)16-6-2-3-9(7-16)4-5-10(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyCLKUATWZUWTKSN-UHFFFAOYSA-N
XLogP1.50
TPSA57.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity399

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic 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

2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]acetic acid
CID 11912379
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]acetic acid
CID 11912074
3-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235594
3-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]propanoic acid
CID 81928282
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893
(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 68752657
1-(4,4-Difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 68752659
(3S)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 68755297
2,2-Difluoro-5-azaspiro[2.5]octane-5,7-dicarboxylic acid
CID 146451529
6-(Tert-butoxycarbonyl)-2,2-difluoro-6-azaspiro[2.5]octane-1-carboxylic acid
CID 155255865
4,4-Difluoro-6-azaspiro[2.5]octane-2,6-dicarboxylic acid
CID 156133222
2,2-Difluoro-1-methyl-6-azaspiro[2.5]octane-1,6-dicarboxylic acid
CID 156133224

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid (CID 122108448) is 3-[1-(2,2-difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid is CC1(CC1(F)F)C(=O)N2CCCC(C2)CCC(=O)O.
What is the InChIKey of 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is CLKUATWZUWTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-12(8-13(12,14)15)11(19)16-6-2-3-9(7-16)4-5-10(17)18/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 275.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 122108448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).