4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid

C11H21NO6S — CID 82326450

IUPAC4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
SMILESCCCCS(=O)(=O)N(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C11H21NO6S/c1-2-3-9-19(17,18)12(8-6-11(15)16)7-4-5-10(13)14/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyRRJGUGPSAWNWNN-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.76
Rot. Bonds11

About 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid

4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid (PubChem CID 82326450) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
PubChem CID82326450
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
SMILESCCCCS(=O)(=O)N(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C11H21NO6S/c1-2-3-9-19(17,18)12(8-6-11(15)16)7-4-5-10(13)14/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyRRJGUGPSAWNWNN-UHFFFAOYSA-N
XLogP0.76
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butylsulfonyl(2-carboxyethyl)amino]-2-methylpropanoic acid
CID 82326473
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
CID 107435665
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
N,N-dipentylethanesulfonamide
CID 3453334
2-[butylsulfonyl(prop-2-ynyl)amino]acetic acid
CID 79274979
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879

Frequently Asked Questions

What is the IUPAC name of 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid?
The IUPAC name of 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid (CID 82326450) is 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid?
The canonical SMILES for 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid is CCCCS(=O)(=O)N(CCCC(=O)O)CCC(=O)O.
What is the InChIKey of 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid?
The InChIKey is RRJGUGPSAWNWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-2-3-9-19(17,18)12(8-6-11(15)16)7-4-5-10(13)14/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid?
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid has a molecular weight of 295.36 g/mol, XLogP of 0.76, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid is sourced from PubChem (CID 82326450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).