3-oxo-3-(2-sulfamoylethylamino)propanoic acid

C5H10N2O5S — CID 62230210

IUPAC3-oxo-3-(2-sulfamoylethylamino)propanoic acid
SMILESNS(=O)(=O)CCNC(=O)CC(=O)O
InChIInChI=1S/C5H10N2O5S/c6-13(11,12)2-1-7-4(8)3-5(9)10/h1-3H2,(H,7,8)(H,9,10)(H2,6,11,12)
InChIKeySSFRAKQQHRELEQ-UHFFFAOYSA-N
MW210.21 g/mol
LogP-2.13
Rot. Bonds5

About 3-oxo-3-(2-sulfamoylethylamino)propanoic acid

3-oxo-3-(2-sulfamoylethylamino)propanoic acid (PubChem CID 62230210) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-oxo-3-(2-sulfamoylethylamino)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(2-sulfamoylethylamino)propanoic acid
PubChem CID62230210
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name3-oxo-3-(2-sulfamoylethylamino)propanoic acid
SMILESNS(=O)(=O)CCNC(=O)CC(=O)O
InChIInChI=1S/C5H10N2O5S/c6-13(11,12)2-1-7-4(8)3-5(9)10/h1-3H2,(H,7,8)(H,9,10)(H2,6,11,12)
InChIKeySSFRAKQQHRELEQ-UHFFFAOYSA-N
XLogP-2.13
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577
5-chloro-N-(2-sulfamoylethyl)pentanamide
CID 43552084
1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43552024
2-(1-aminocyclopentyl)-N-(2-sulfamoylethyl)acetamide
CID 64686169
2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid
CID 79464472
3-[2-(methanesulfonamido)ethylamino]-3-oxopropanoic acid
CID 62230209
2-(cyclopentylamino)-N-(2-sulfamoylethyl)acetamide
CID 60848544
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2-sulfamoylethylamino)propanoic acid?
The IUPAC name of 3-oxo-3-(2-sulfamoylethylamino)propanoic acid (CID 62230210) is 3-oxo-3-(2-sulfamoylethylamino)propanoic acid.
What is the SMILES notation for 3-oxo-3-(2-sulfamoylethylamino)propanoic acid?
The canonical SMILES for 3-oxo-3-(2-sulfamoylethylamino)propanoic acid is NS(=O)(=O)CCNC(=O)CC(=O)O.
What is the InChIKey of 3-oxo-3-(2-sulfamoylethylamino)propanoic acid?
The InChIKey is SSFRAKQQHRELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c6-13(11,12)2-1-7-4(8)3-5(9)10/h1-3H2,(H,7,8)(H,9,10)(H2,6,11,12).
What are the key properties of 3-oxo-3-(2-sulfamoylethylamino)propanoic acid?
3-oxo-3-(2-sulfamoylethylamino)propanoic acid has a molecular weight of 210.21 g/mol, XLogP of -2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2-sulfamoylethylamino)propanoic acid is sourced from PubChem (CID 62230210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).