4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid

C8H18N2O5S — CID 64541919

IUPAC4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
SMILESCC(O)C(N)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-6(11)7(9)5-10-16(14,15)4-2-3-8(12)13/h6-7,10-11H,2-5,9H2,1H3,(H,12,13)
InChIKeyVHNMFLJOFUUEPU-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.52
Rot. Bonds8

About 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid

4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid (PubChem CID 64541919) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
PubChem CID64541919
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
SMILESCC(O)C(N)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-6(11)7(9)5-10-16(14,15)4-2-3-8(12)13/h6-7,10-11H,2-5,9H2,1H3,(H,12,13)
InChIKeyVHNMFLJOFUUEPU-UHFFFAOYSA-N
XLogP-1.52
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
CID 64539581
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
CID 102903683
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
CID 104827551
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid (CID 64541919) is 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid is CC(O)C(N)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid?
The InChIKey is VHNMFLJOFUUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-6(11)7(9)5-10-16(14,15)4-2-3-8(12)13/h6-7,10-11H,2-5,9H2,1H3,(H,12,13).
What are the key properties of 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid?
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid has a molecular weight of 254.31 g/mol, XLogP of -1.52, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 64541919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).