3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid

C7H14N2O5S — CID 60864275

IUPAC3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
SMILESNC(=O)CCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c8-6(10)2-1-4-9-15(13,14)5-3-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
InChIKeyUGMXYZLLBBHZGJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.35
Rot. Bonds8

About 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid

3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid (PubChem CID 60864275) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
PubChem CID60864275
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
SMILESNC(=O)CCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c8-6(10)2-1-4-9-15(13,14)5-3-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
InChIKeyUGMXYZLLBBHZGJ-UHFFFAOYSA-N
XLogP-1.35
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]propanoic acid
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3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
7-(butylsulfonylamino)heptanoic acid
CID 24704780
3-(pent-3-ynylsulfamoyl)propanoic acid
CID 116642734
3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
CID 43362077
3-[(6-oxo-6-phenylmethoxyhexyl)sulfamoyl]propanoic acid
CID 155596108
4-(3-methoxypropylsulfamoyl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid (CID 60864275) is 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid is NC(=O)CCCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid?
The InChIKey is UGMXYZLLBBHZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c8-6(10)2-1-4-9-15(13,14)5-3-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12).
What are the key properties of 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid?
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60864275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).