2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid

C8H13F3N2O5S — CID 107435802

IUPAC2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O5S/c9-8(10,11)2-1-3-19(17,18)13(4-6(12)14)5-7(15)16/h1-5H2,(H2,12,14)(H,15,16)
InChIKeyGXZZVJGPGXVPMZ-UHFFFAOYSA-N
MW306.26 g/mol
LogP-0.47
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid (PubChem CID 107435802) has the molecular formula C8H13F3N2O5S and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
PubChem CID107435802
Molecular FormulaC8H13F3N2O5S
Molecular Weight306.26 g/mol
Exact Mass306.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O5S/c9-8(10,11)2-1-3-19(17,18)13(4-6(12)14)5-7(15)16/h1-5H2,(H2,12,14)(H,15,16)
InChIKeyGXZZVJGPGXVPMZ-UHFFFAOYSA-N
XLogP-0.47
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)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-(Difluoromethylsulfonylamino)acetyl]amino]acetic acid
CID 43465618
2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid
CID 60950382
3-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]propanoic acid
CID 60950541
2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]propanoic acid
CID 61457881
2-[2-(3-Amino-3-oxopropyl)sulfonylethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258520
2-[Carboxymethyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83068181
2-[[2-(4,4,4-Trifluorobutylsulfonylamino)acetyl]amino]acetic acid
CID 83068325
2-[2-(Dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 107424581
2-[(2-Amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid
CID 107435601
2-[(2-Amino-2-oxoethyl)-(trifluoromethylsulfonyl)amino]acetic acid
CID 107435624
2-[2-Acetamidoethyl(2,2,2-trifluoroethylsulfonyl)amino]propanoic acid
CID 120605808
2-[Bis(2-amino-2-oxoethyl)sulfamoyl]acetic acid
CID 62923151

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid (CID 107435802) is 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
The InChIKey is GXZZVJGPGXVPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O5S/c9-8(10,11)2-1-3-19(17,18)13(4-6(12)14)5-7(15)16/h1-5H2,(H2,12,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid has a molecular weight of 306.26 g/mol, XLogP of -0.47, 8 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)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid is sourced from PubChem (CID 107435802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).