(2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

C5H10F3N3O4S — CID 87289725

IUPAC(2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESN[C@@H](CNS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C5H10F3N3O4S/c6-5(7,8)2-11-16(14,15)10-1-3(9)4(12)13/h3,10-11H,1-2,9H2,(H,12,13)/t3-/m0/s1
InChIKeyCXPQGSLMOZVKTF-VKHMYHEASA-N
MW265.21 g/mol
LogP-1.62
Rot. Bonds6

About (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

(2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (PubChem CID 87289725) has the molecular formula C5H10F3N3O4S and a molecular weight of 265.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
PubChem CID87289725
Molecular FormulaC5H10F3N3O4S
Molecular Weight265.21 g/mol
Exact Mass265.03
IUPAC Name(2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESN[C@@H](CNS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C5H10F3N3O4S/c6-5(7,8)2-11-16(14,15)10-1-3(9)4(12)13/h3,10-11H,1-2,9H2,(H,12,13)/t3-/m0/s1
InChIKeyCXPQGSLMOZVKTF-VKHMYHEASA-N
XLogP-1.62
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (CID 87289725) is (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is N[C@@H](CNS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The InChIKey is CXPQGSLMOZVKTF-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10F3N3O4S/c6-5(7,8)2-11-16(14,15)10-1-3(9)4(12)13/h3,10-11H,1-2,9H2,(H,12,13)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
(2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid has a molecular weight of 265.21 g/mol, XLogP of -1.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 87289725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).