3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid

C10H20N2O4S — CID 63275597

IUPAC3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
SMILESCN1CCC(CN(C)S(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-11-5-3-9(7-11)8-12(2)17(15,16)6-4-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyXZBKHOJEMQNCIH-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.33
Rot. Bonds6

About 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid (PubChem CID 63275597) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
PubChem CID63275597
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
SMILESCN1CCC(CN(C)S(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-11-5-3-9(7-11)8-12(2)17(15,16)6-4-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyXZBKHOJEMQNCIH-UHFFFAOYSA-N
XLogP-0.33
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
CID 63631065
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
CID 63274278
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
3-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]propanoic acid
CID 60855399
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275642
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
3-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275730
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid (CID 63275597) is 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid is CN1CCC(CN(C)S(=O)(=O)CCC(=O)O)C1.
What is the InChIKey of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid?
The InChIKey is XZBKHOJEMQNCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11-5-3-9(7-11)8-12(2)17(15,16)6-4-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid?
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 63275597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).