3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid

C8H11F2NO3 — CID 103513356

IUPAC3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)C(F)F
InChIInChI=1S/C8H11F2NO3/c9-6(10)7(12)11-5-2-1-4(3-5)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)
InChIKeyVURFNCCHPSTYLG-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.62
Rot. Bonds3

About 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid

3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 103513356) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID103513356
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)C(F)F
InChIInChI=1S/C8H11F2NO3/c9-6(10)7(12)11-5-2-1-4(3-5)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)
InChIKeyVURFNCCHPSTYLG-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
CID 165385919
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid (CID 103513356) is 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)C(F)F.
What is the InChIKey of 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VURFNCCHPSTYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c9-6(10)7(12)11-5-2-1-4(3-5)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid?
3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 207.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103513356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).