4-[methyl(2-sulfamoylethyl)amino]butanoic acid

C7H16N2O4S — CID 114385348

IUPAC4-[methyl(2-sulfamoylethyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)CCS(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-9(4-2-3-7(10)11)5-6-14(8,12)13/h2-6H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyHAONAPQPJDNYDN-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.93
Rot. Bonds7

About 4-[methyl(2-sulfamoylethyl)amino]butanoic acid

4-[methyl(2-sulfamoylethyl)amino]butanoic acid (PubChem CID 114385348) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[methyl(2-sulfamoylethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-sulfamoylethyl)amino]butanoic acid
PubChem CID114385348
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-[methyl(2-sulfamoylethyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)CCS(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-9(4-2-3-7(10)11)5-6-14(8,12)13/h2-6H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyHAONAPQPJDNYDN-UHFFFAOYSA-N
XLogP-0.93
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55005595
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
4-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]butanoic acid
CID 55005699
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
3-[3-(4-fluorophenyl)sulfonylpropyl-methylamino]propanoic acid
CID 119911146

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-sulfamoylethyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2-sulfamoylethyl)amino]butanoic acid (CID 114385348) is 4-[methyl(2-sulfamoylethyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2-sulfamoylethyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2-sulfamoylethyl)amino]butanoic acid is CN(CCCC(=O)O)CCS(N)(=O)=O.
What is the InChIKey of 4-[methyl(2-sulfamoylethyl)amino]butanoic acid?
The InChIKey is HAONAPQPJDNYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-9(4-2-3-7(10)11)5-6-14(8,12)13/h2-6H2,1H3,(H,10,11)(H2,8,12,13).
What are the key properties of 4-[methyl(2-sulfamoylethyl)amino]butanoic acid?
4-[methyl(2-sulfamoylethyl)amino]butanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-sulfamoylethyl)amino]butanoic acid is sourced from PubChem (CID 114385348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).