(2S)-2-(trifluoromethylsulfonylamino)propanoic acid

C4H6F3NO4S — CID 61131271

IUPAC(2S)-2-(trifluoromethylsulfonylamino)propanoic acid
SMILESC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C4H6F3NO4S/c1-2(3(9)10)8-13(11,12)4(5,6)7/h2,8H,1H3,(H,9,10)/t2-/m0/s1
InChIKeyLDBKIOZMTRPQNB-REOHCLBHSA-N
MW221.16 g/mol
LogP-0.10
Rot. Bonds3

About (2S)-2-(trifluoromethylsulfonylamino)propanoic acid

(2S)-2-(trifluoromethylsulfonylamino)propanoic acid (PubChem CID 61131271) has the molecular formula C4H6F3NO4S and a molecular weight of 221.16 g/mol. Its IUPAC name is (2S)-2-(trifluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(trifluoromethylsulfonylamino)propanoic acid
PubChem CID61131271
Molecular FormulaC4H6F3NO4S
Molecular Weight221.16 g/mol
Exact Mass221.00
IUPAC Name(2S)-2-(trifluoromethylsulfonylamino)propanoic acid
SMILESC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C4H6F3NO4S/c1-2(3(9)10)8-13(11,12)4(5,6)7/h2,8H,1H3,(H,9,10)/t2-/m0/s1
InChIKeyLDBKIOZMTRPQNB-REOHCLBHSA-N
XLogP-0.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-2-(trifluoromethylsulfonylamino)propanoic acid (CID 61131271) is (2S)-2-(trifluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(trifluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(trifluoromethylsulfonylamino)propanoic acid is C[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-(trifluoromethylsulfonylamino)propanoic acid?
The InChIKey is LDBKIOZMTRPQNB-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6F3NO4S/c1-2(3(9)10)8-13(11,12)4(5,6)7/h2,8H,1H3,(H,9,10)/t2-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethylsulfonylamino)propanoic acid?
(2S)-2-(trifluoromethylsulfonylamino)propanoic acid has a molecular weight of 221.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 61131271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).