(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid

C7H11F3N2O5S — CID 104977931

IUPAC(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O5S/c8-7(9,10)3-11-18(16,17)12-2-4(13)1-5(12)6(14)15/h4-5,11,13H,1-3H2,(H,14,15)/t4-,5-/m0/s1
InChIKeyRRZHFXMTGWEKBB-WHFBIAKZSA-N
MW292.24 g/mol
LogP-1.10
Rot. Bonds4

About (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104977931) has the molecular formula C7H11F3N2O5S and a molecular weight of 292.24 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104977931
Molecular FormulaC7H11F3N2O5S
Molecular Weight292.24 g/mol
Exact Mass292.03
IUPAC Name(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O5S/c8-7(9,10)3-11-18(16,17)12-2-4(13)1-5(12)6(14)15/h4-5,11,13H,1-3H2,(H,14,15)/t4-,5-/m0/s1
InChIKeyRRZHFXMTGWEKBB-WHFBIAKZSA-N
XLogP-1.10
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114805196
(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598
2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809666
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
3-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 102776359
(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64987540
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104977885
4-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 114351642
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
(2S,4S)-1-(3,5-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712843

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid (CID 104977931) is (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RRZHFXMTGWEKBB-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11F3N2O5S/c8-7(9,10)3-11-18(16,17)12-2-4(13)1-5(12)6(14)15/h4-5,11,13H,1-3H2,(H,14,15)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104977931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).