3-oxo-3-(3-sulfamoylpropylamino)propanoic acid

C6H12N2O5S — CID 62230975

IUPAC3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
SMILESNS(=O)(=O)CCCNC(=O)CC(=O)O
InChIInChI=1S/C6H12N2O5S/c7-14(12,13)3-1-2-8-5(9)4-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H2,7,12,13)
InChIKeyLVUIGEWLNGBFIP-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.74
Rot. Bonds6

About 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid

3-oxo-3-(3-sulfamoylpropylamino)propanoic acid (PubChem CID 62230975) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
PubChem CID62230975
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
SMILESNS(=O)(=O)CCCNC(=O)CC(=O)O
InChIInChI=1S/C6H12N2O5S/c7-14(12,13)3-1-2-8-5(9)4-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H2,7,12,13)
InChIKeyLVUIGEWLNGBFIP-UHFFFAOYSA-N
XLogP-1.74
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
CID 76927870
N-(3-sulfamoylpropyl)prop-2-ynamide
CID 61132242
4-oxo-4-(3-sulfamoylpropylamino)but-2-enoic acid
CID 76927988
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide
CID 79280560
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
3-cyclohexyl-N-(3-sulfamoylpropyl)propanamide
CID 47337120
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid?
The IUPAC name of 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid (CID 62230975) is 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid.
What is the SMILES notation for 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid?
The canonical SMILES for 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid is NS(=O)(=O)CCCNC(=O)CC(=O)O.
What is the InChIKey of 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid?
The InChIKey is LVUIGEWLNGBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c7-14(12,13)3-1-2-8-5(9)4-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H2,7,12,13).
What are the key properties of 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid?
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid has a molecular weight of 224.24 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(3-sulfamoylpropylamino)propanoic acid is sourced from PubChem (CID 62230975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).