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

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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).