4-[ethyl(methylsulfonyl)amino]butanoic acid

C7H15NO4S — CID 39242296

IUPAC4-[ethyl(methylsulfonyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-3-8(13(2,11)12)6-4-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyBNBFYLXIWVPFNB-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds6

About 4-[ethyl(methylsulfonyl)amino]butanoic acid

4-[ethyl(methylsulfonyl)amino]butanoic acid (PubChem CID 39242296) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-[ethyl(methylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethyl(methylsulfonyl)amino]butanoic acid
PubChem CID39242296
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-[ethyl(methylsulfonyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-3-8(13(2,11)12)6-4-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyBNBFYLXIWVPFNB-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
4-[Methyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 43172920
4-[Difluoromethylsulfonyl(propan-2-yl)amino]butanoic acid
CID 60829785
2-Isothiazolidinebutanoic acid, 1,1-dioxide
CID 24688850
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966
3-[2-Carboxyethyl(methylsulfonyl)amino]propanoic acid
CID 58835758
4-[Bis(methylsulfonyl)amino]butanoic acid;hydrochloride
CID 87416420
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
2-[3-Carboxypropyl(dimethyl)azaniumyl]ethanesulfonate
CID 140741616

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[ethyl(methylsulfonyl)amino]butanoic acid (CID 39242296) is 4-[ethyl(methylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethyl(methylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[ethyl(methylsulfonyl)amino]butanoic acid is CCN(CCCC(=O)O)S(C)(=O)=O.
What is the InChIKey of 4-[ethyl(methylsulfonyl)amino]butanoic acid?
The InChIKey is BNBFYLXIWVPFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-8(13(2,11)12)6-4-5-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-[ethyl(methylsulfonyl)amino]butanoic acid?
4-[ethyl(methylsulfonyl)amino]butanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 39242296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).