(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

C9H16N2O6S — CID 104929099

IUPAC(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-6(2)17-9(14)10-18(15,16)11-5-3-4-7(11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKeyPNDMWMPIWUIQCC-ZETCQYMHSA-N
MW280.30 g/mol
LogP-0.09
Rot. Bonds4

About (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104929099) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104929099
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-6(2)17-9(14)10-18(15,16)11-5-3-4-7(11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKeyPNDMWMPIWUIQCC-ZETCQYMHSA-N
XLogP-0.09
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114463743
methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
CID 114465457
propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (CID 104929099) is (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is CC(C)OC(=O)NS(=O)(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PNDMWMPIWUIQCC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-6(2)17-9(14)10-18(15,16)11-5-3-4-7(11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104929099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).