3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid

C8H15F2NO4S — CID 60829147

IUPAC3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2NO4S/c1-8(2,3)11(5-4-6(12)13)16(14,15)7(9)10/h7H,4-5H2,1-3H3,(H,12,13)
InChIKeyUGCAIHODUYMGQB-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.11
Rot. Bonds5

About 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid

3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid (PubChem CID 60829147) has the molecular formula C8H15F2NO4S and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
PubChem CID60829147
Molecular FormulaC8H15F2NO4S
Molecular Weight259.27 g/mol
Exact Mass259.07
IUPAC Name3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2NO4S/c1-8(2,3)11(5-4-6(12)13)16(14,15)7(9)10/h7H,4-5H2,1-3H3,(H,12,13)
InChIKeyUGCAIHODUYMGQB-UHFFFAOYSA-N
XLogP1.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[tert-butyl(difluoromethylsulfonyl)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-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
CID 114805657
2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
CID 79268548
2-[difluoromethylsulfonyl(methyl)amino]acetic acid
CID 28606630
3-[tert-butyl-(2,5-dimethylphenyl)sulfonylamino]propanoic acid
CID 60829315
3-[tert-butyl(2-pyridin-4-ylethylsulfonyl)amino]propanoic acid
CID 60891514
3-[tert-butyl(2-methylsulfonylethyl)amino]propanoic acid
CID 60915688
2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
3-[tert-butyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
CID 103414111
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819
3-[(4-bromo-3-methylphenyl)sulfonyl-tert-butylamino]propanoic acid
CID 60828995
3-[(3-bromo-4-chlorophenyl)sulfonyl-tert-butylamino]propanoic acid
CID 106605247
3-[bis(methylsulfonyl)amino]propanoic acid
CID 87416675

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid (CID 60829147) is 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)S(=O)(=O)C(F)F.
What is the InChIKey of 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid?
The InChIKey is UGCAIHODUYMGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO4S/c1-8(2,3)11(5-4-6(12)13)16(14,15)7(9)10/h7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid?
3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid has a molecular weight of 259.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 60829147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).