4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

C10H18N2O7S — CID 114462039

IUPAC4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)NC(=O)OC(C)C)C1
InChIInChI=1S/C10H18N2O7S/c1-6(2)19-10(15)11-20(16,17)12-5-7(18-3)4-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJTYDORGOSVPSLJ-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.46
Rot. Bonds5

About 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 114462039) has the molecular formula C10H18N2O7S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
PubChem CID114462039
Molecular FormulaC10H18N2O7S
Molecular Weight310.33 g/mol
Exact Mass310.08
IUPAC Name4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)NC(=O)OC(C)C)C1
InChIInChI=1S/C10H18N2O7S/c1-6(2)19-10(15)11-20(16,17)12-5-7(18-3)4-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJTYDORGOSVPSLJ-UHFFFAOYSA-N
XLogP-0.46
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 114805391
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
4-methoxy-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 54947196
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 43210342
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (CID 114462039) is 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(S(=O)(=O)NC(=O)OC(C)C)C1.
What is the InChIKey of 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JTYDORGOSVPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7S/c1-6(2)19-10(15)11-20(16,17)12-5-7(18-3)4-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114462039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).