4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid

C10H21NO4S — CID 63855669

IUPAC4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid
SMILESCC(C)CCS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-9(2)6-8-16(14,15)11(3)7-4-5-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyQJMFBUVENWFRHD-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.16
Rot. Bonds8

About 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid

4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid (PubChem CID 63855669) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid
PubChem CID63855669
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid
SMILESCC(C)CCS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-9(2)6-8-16(14,15)11(3)7-4-5-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyQJMFBUVENWFRHD-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(3-methylbutylsulfonyl)amino]butanoic 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

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
4-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068099
2-[1-(4,4,4-Trifluorobutylsulfonyl)azetidin-3-yl]propanoic acid
CID 113551588
(3S,4S)-1-(4-fluorobutylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103735
1-(Isopropylsulfonyl)piperidine-4-carboxylic acid
CID 21334204
1-Butylsulfonylpyrrolidine-3-carboxylic acid
CID 22322752
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid (CID 63855669) is 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid is CC(C)CCS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid?
The InChIKey is QJMFBUVENWFRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2)6-8-16(14,15)11(3)7-4-5-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid?
4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylbutylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 63855669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).