3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid

C7H11F2NO4S — CID 60829818

IUPAC3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10(5-1-2-5)4-3-6(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyJMZPIJZFZSFMLZ-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.48
Rot. Bonds6

About 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid

3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid (PubChem CID 60829818) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid
PubChem CID60829818
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10(5-1-2-5)4-3-6(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyJMZPIJZFZSFMLZ-UHFFFAOYSA-N
XLogP0.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
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-[Propan-2-yl(trifluoromethylsulfonyl)amino]propanoic acid
CID 60829838
3-[Difluoromethylsulfonyl(methyl)amino]propanoic acid
CID 60989446
3-[Methyl(trifluoromethylsulfonyl)amino]propanoic acid
CID 60990121
3-[Difluoromethylsulfonyl(ethyl)amino]propanoic acid
CID 61007011
3-[Ethyl(trifluoromethylsulfonyl)amino]propanoic acid
CID 61009189
3-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61605733
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 61606055

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid (CID 60829818) is 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid is O=C(O)CCN(C1CC1)S(=O)(=O)C(F)F.
What is the InChIKey of 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid?
The InChIKey is JMZPIJZFZSFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10(5-1-2-5)4-3-6(11)12/h5,7H,1-4H2,(H,11,12).
What are the key properties of 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid?
3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid has a molecular weight of 243.23 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 60829818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).