2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid

C5H8F2N2O5S — CID 107435601

IUPAC2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C5H8F2N2O5S/c6-5(7)15(13,14)9(1-3(8)10)2-4(11)12/h5H,1-2H2,(H2,8,10)(H,11,12)
InChIKeyOMFUKBGPMVSONL-UHFFFAOYSA-N
MW246.19 g/mol
LogP-1.59
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid (PubChem CID 107435601) has the molecular formula C5H8F2N2O5S and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid
PubChem CID107435601
Molecular FormulaC5H8F2N2O5S
Molecular Weight246.19 g/mol
Exact Mass246.01
IUPAC Name2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C5H8F2N2O5S/c6-5(7)15(13,14)9(1-3(8)10)2-4(11)12/h5H,1-2H2,(H2,8,10)(H,11,12)
InChIKeyOMFUKBGPMVSONL-UHFFFAOYSA-N
XLogP-1.59
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid (CID 107435601) is 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid?
The InChIKey is OMFUKBGPMVSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O5S/c6-5(7)15(13,14)9(1-3(8)10)2-4(11)12/h5H,1-2H2,(H2,8,10)(H,11,12).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid has a molecular weight of 246.19 g/mol, XLogP of -1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 107435601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).