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

C5H7F3N2O5S — CID 107435624

IUPAC2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O5S/c6-5(7,8)16(14,15)10(1-3(9)11)2-4(12)13/h1-2H2,(H2,9,11)(H,12,13)
InChIKeyXASXGQCKFMDVKR-UHFFFAOYSA-N
MW264.18 g/mol
LogP-1.29
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid (PubChem CID 107435624) has the molecular formula C5H7F3N2O5S and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid
PubChem CID107435624
Molecular FormulaC5H7F3N2O5S
Molecular Weight264.18 g/mol
Exact Mass264.00
IUPAC Name2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O5S/c6-5(7,8)16(14,15)10(1-3(9)11)2-4(12)13/h1-2H2,(H2,9,11)(H,12,13)
InChIKeyXASXGQCKFMDVKR-UHFFFAOYSA-N
XLogP-1.29
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 5-1.29
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)-(trifluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid (CID 107435624) is 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid?
The InChIKey is XASXGQCKFMDVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O5S/c6-5(7,8)16(14,15)10(1-3(9)11)2-4(12)13/h1-2H2,(H2,9,11)(H,12,13).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid has a molecular weight of 264.18 g/mol, XLogP of -1.29, 5 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)-(trifluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 107435624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).