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

C6H10F2N2O3 — CID 115408162

IUPAC2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC(F)F
InChIInChI=1S/C6H10F2N2O3/c1-10(3-5(11)12)6(13)9-2-4(7)8/h4H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyUUEBQIKFOUQMEX-UHFFFAOYSA-N
MW196.15 g/mol
LogP-0.02
Rot. Bonds4

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

2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid (PubChem CID 115408162) has the molecular formula C6H10F2N2O3 and a molecular weight of 196.15 g/mol. Its IUPAC name is 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid
PubChem CID115408162
Molecular FormulaC6H10F2N2O3
Molecular Weight196.15 g/mol
Exact Mass196.07
IUPAC Name2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC(F)F
InChIInChI=1S/C6H10F2N2O3/c1-10(3-5(11)12)6(13)9-2-4(7)8/h4H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyUUEBQIKFOUQMEX-UHFFFAOYSA-N
XLogP-0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid (CID 115408162) is 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCC(F)F.
What is the InChIKey of 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is UUEBQIKFOUQMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O3/c1-10(3-5(11)12)6(13)9-2-4(7)8/h4H,2-3H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid?
2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 196.15 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 115408162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).