3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid

C7H10F3NO4S — CID 60828655

IUPAC3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11(5-1-2-5)4-3-6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyZSXKGAKQIDHHJI-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.78
Rot. Bonds5

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

3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid (PubChem CID 60828655) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid
PubChem CID60828655
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11(5-1-2-5)4-3-6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyZSXKGAKQIDHHJI-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid (CID 60828655) is 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid is O=C(O)CCN(C1CC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid?
The InChIKey is ZSXKGAKQIDHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11(5-1-2-5)4-3-6(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid?
3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid has a molecular weight of 261.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(trifluoromethylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 60828655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).