4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid

C10H20N2O4S — CID 55226506

IUPAC4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N(C)C(C)C)CC1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-7(2)11(4)17(15,16)12-5-8(3)9(6-12)10(13)14/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKeyAJKUGFVIWMOWDH-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.22
Rot. Bonds4

About 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 55226506) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid
PubChem CID55226506
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N(C)C(C)C)CC1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-7(2)11(4)17(15,16)12-5-8(3)9(6-12)10(13)14/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKeyAJKUGFVIWMOWDH-UHFFFAOYSA-N
XLogP0.22
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid (CID 55226506) is 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid is CC1CN(S(=O)(=O)N(C)C(C)C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AJKUGFVIWMOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-7(2)11(4)17(15,16)12-5-8(3)9(6-12)10(13)14/h7-9H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).