3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid

C9H17N3O6S — CID 107324102

IUPAC3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C9H17N3O6S/c1-6(2)18-8(15)11-19(16,17)12-4-3-9(10,5-12)7(13)14/h6H,3-5,10H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyGETMHKNZOOWBGS-UHFFFAOYSA-N
MW295.32 g/mol
LogP-1.15
Rot. Bonds4

About 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid

3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324102) has the molecular formula C9H17N3O6S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID107324102
Molecular FormulaC9H17N3O6S
Molecular Weight295.32 g/mol
Exact Mass295.08
IUPAC Name3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C9H17N3O6S/c1-6(2)18-8(15)11-19(16,17)12-4-3-9(10,5-12)7(13)14/h6H,3-5,10H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyGETMHKNZOOWBGS-UHFFFAOYSA-N
XLogP-1.15
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107323993
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323953
1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 114462628
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968
methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
CID 114467044
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 107324102) is 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid is CC(C)OC(=O)NS(=O)(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GETMHKNZOOWBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6S/c1-6(2)18-8(15)11-19(16,17)12-4-3-9(10,5-12)7(13)14/h6H,3-5,10H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).