3-methyl-5-sulfamoylpentanoic acid

C6H13NO4S — CID 172766329

IUPAC3-methyl-5-sulfamoylpentanoic acid
SMILESCC(CCS(N)(=O)=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(4-6(8)9)2-3-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)(H2,7,10,11)
InChIKeyMJAKCGKAMQADBV-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.22
Rot. Bonds5

About 3-methyl-5-sulfamoylpentanoic acid

3-methyl-5-sulfamoylpentanoic acid (PubChem CID 172766329) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-methyl-5-sulfamoylpentanoic acid.

Molecular Properties

Compound Name3-methyl-5-sulfamoylpentanoic acid
PubChem CID172766329
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-methyl-5-sulfamoylpentanoic acid
SMILESCC(CCS(N)(=O)=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(4-6(8)9)2-3-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)(H2,7,10,11)
InChIKeyMJAKCGKAMQADBV-UHFFFAOYSA-N
XLogP-0.22
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-sulfamoylpentanoic acid?
The IUPAC name of 3-methyl-5-sulfamoylpentanoic acid (CID 172766329) is 3-methyl-5-sulfamoylpentanoic acid.
What is the SMILES notation for 3-methyl-5-sulfamoylpentanoic acid?
The canonical SMILES for 3-methyl-5-sulfamoylpentanoic acid is CC(CCS(N)(=O)=O)CC(=O)O.
What is the InChIKey of 3-methyl-5-sulfamoylpentanoic acid?
The InChIKey is MJAKCGKAMQADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(4-6(8)9)2-3-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)(H2,7,10,11).
What are the key properties of 3-methyl-5-sulfamoylpentanoic acid?
3-methyl-5-sulfamoylpentanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-sulfamoylpentanoic acid is sourced from PubChem (CID 172766329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).