4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C10H16F3NO6S — CID 60951738

IUPAC4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCOC(=O)CCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H16F3NO6S/c1-20-9(17)4-5-14(7-10(11,12)13)21(18,19)6-2-3-8(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyDGWLARSFEUIDBM-UHFFFAOYSA-N
MW335.30 g/mol
LogP0.61
Rot. Bonds9

About 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 60951738) has the molecular formula C10H16F3NO6S and a molecular weight of 335.30 g/mol. Its IUPAC name is 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID60951738
Molecular FormulaC10H16F3NO6S
Molecular Weight335.30 g/mol
Exact Mass335.07
IUPAC Name4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCOC(=O)CCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H16F3NO6S/c1-20-9(17)4-5-14(7-10(11,12)13)21(18,19)6-2-3-8(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyDGWLARSFEUIDBM-UHFFFAOYSA-N
XLogP0.61
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic 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

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 54876265
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
4-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60951440

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 60951738) is 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is COC(=O)CCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is DGWLARSFEUIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO6S/c1-20-9(17)4-5-14(7-10(11,12)13)21(18,19)6-2-3-8(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 335.30 g/mol, XLogP of 0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60951738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).