3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid

C9H18N2O5S — CID 60952620

IUPAC3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
SMILESCCCNC(=O)CN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-3-5-10-8(12)7-11(2)17(15,16)6-4-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyQPRWGALBUGIKSS-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.75
Rot. Bonds8

About 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid

3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid (PubChem CID 60952620) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
PubChem CID60952620
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
SMILESCCCNC(=O)CN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-3-5-10-8(12)7-11(2)17(15,16)6-4-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyQPRWGALBUGIKSS-UHFFFAOYSA-N
XLogP-0.75
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-anilino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 60950687
5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119234156
2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119431251
4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
CID 43567410
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
3-[methyl(phenyl)sulfamoyl]-N-propylpropanamide
CID 110342905
3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid
CID 60950996
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
CID 54952205
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
3-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238288
N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119627585

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid (CID 60952620) is 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid is CCCNC(=O)CN(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid?
The InChIKey is QPRWGALBUGIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-3-5-10-8(12)7-11(2)17(15,16)6-4-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid?
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 60952620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).