2-[2,2-difluorobutanoyl(methyl)amino]acetic acid

C7H11F2NO3 — CID 88907353

IUPAC2-[2,2-difluorobutanoyl(methyl)amino]acetic acid
SMILESCCC(F)(F)C(=O)N(C)CC(=O)O
InChIInChI=1S/C7H11F2NO3/c1-3-7(8,9)6(13)10(2)4-5(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyGCLWUPXGRWCTNQ-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.57
Rot. Bonds4

About 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid

2-[2,2-difluorobutanoyl(methyl)amino]acetic acid (PubChem CID 88907353) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluorobutanoyl(methyl)amino]acetic acid
PubChem CID88907353
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name2-[2,2-difluorobutanoyl(methyl)amino]acetic acid
SMILESCCC(F)(F)C(=O)N(C)CC(=O)O
InChIInChI=1S/C7H11F2NO3/c1-3-7(8,9)6(13)10(2)4-5(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyGCLWUPXGRWCTNQ-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2,2-difluorobutanoyl(methyl)amino]acetic 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-(2,2,2-Trifluoro-N-Methylacetamido)Acetic Acid
CID 261948
2-[Methyl(propionyl)amino]acetic acid
CID 15574472
2-[2-Oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 23539839
2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoacetic acid
CID 61607634
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
2-(4,4,4-Trifluorobutanoylamino)acetic acid
CID 65711495
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
2-(2,2-Difluorobutanoylamino)acetic acid
CID 88907342
2-[Formyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 89255481
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
Carboxymethyl-dimethyl-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266503
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid (CID 88907353) is 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid is CCC(F)(F)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid?
The InChIKey is GCLWUPXGRWCTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-3-7(8,9)6(13)10(2)4-5(11)12/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid?
2-[2,2-difluorobutanoyl(methyl)amino]acetic acid has a molecular weight of 195.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluorobutanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 88907353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).