(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

C9H16N2O7S — CID 104929145

IUPAC(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O7S/c1-5(2)18-9(15)10-19(16,17)11-4-6(12)3-7(11)8(13)14/h5-7,12H,3-4H2,1-2H3,(H,10,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyQGMDRAMPXTZXTB-RQJHMYQMSA-N
MW296.30 g/mol
LogP-1.11
Rot. Bonds4

About (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104929145) has the molecular formula C9H16N2O7S and a molecular weight of 296.30 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104929145
Molecular FormulaC9H16N2O7S
Molecular Weight296.30 g/mol
Exact Mass296.07
IUPAC Name(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O7S/c1-5(2)18-9(15)10-19(16,17)11-4-6(12)3-7(11)8(13)14/h5-7,12H,3-4H2,1-2H3,(H,10,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyQGMDRAMPXTZXTB-RQJHMYQMSA-N
XLogP-1.11
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114805196
(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598
(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713528
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
(2R,4R)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000977
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (CID 104929145) is (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is CC(C)OC(=O)NS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QGMDRAMPXTZXTB-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16N2O7S/c1-5(2)18-9(15)10-19(16,17)11-4-6(12)3-7(11)8(13)14/h5-7,12H,3-4H2,1-2H3,(H,10,15)(H,13,14)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of -1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104929145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).