3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid

C6H10F3NO4S — CID 61009189

IUPAC3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-2-10(4-3-5(11)12)15(13,14)6(7,8)9/h2-4H2,1H3,(H,11,12)
InChIKeyMRDPNJVEUYYUQL-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.63
Rot. Bonds5

About 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid

3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid (PubChem CID 61009189) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid
PubChem CID61009189
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-2-10(4-3-5(11)12)15(13,14)6(7,8)9/h2-4H2,1H3,(H,11,12)
InChIKeyMRDPNJVEUYYUQL-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic 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

3-(N-methylmethanesulfonamido)propanoic acid
CID 39237378
3-[Methyl(1,1,2,2,3-pentafluoropropylsulfonyl)amino]propanoic acid
CID 130374950
N-dimethyl ammonio propyl perfluoromethane sulfonamido propanoic acid
CID 138395001
3-[Methyl(1,1,2,2,3-pentafluoropropylsulfonyl)amino]propanoate
CID 141668269
Methyl 3-[difluoromethylsulfonyl(ethyl)amino]propanoate
CID 55029001
3-[Tert-butyl(trifluoromethylsulfonyl)amino]propanoic acid
CID 60827847
3-[Cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid
CID 60828655
3-[Tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829147
3-[Difluoromethylsulfonyl(propan-2-yl)amino]propanoic acid
CID 60829657
3-[Cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829818
3-[Propan-2-yl(trifluoromethylsulfonyl)amino]propanoic acid
CID 60829838
3-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951739

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid (CID 61009189) is 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid?
The InChIKey is MRDPNJVEUYYUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-2-10(4-3-5(11)12)15(13,14)6(7,8)9/h2-4H2,1H3,(H,11,12).
What are the key properties of 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid?
3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(trifluoromethylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 61009189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).