3-(2-acetamidoethylsulfamoyl)propanoic acid

C7H14N2O5S — CID 43552803

IUPAC3-(2-acetamidoethylsulfamoyl)propanoic acid
SMILESCC(=O)NCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-6(10)8-3-4-9-15(13,14)5-2-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12)
InChIKeyMVFCIVRTXUZUTP-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.48
Rot. Bonds7

About 3-(2-acetamidoethylsulfamoyl)propanoic acid

3-(2-acetamidoethylsulfamoyl)propanoic acid (PubChem CID 43552803) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(2-acetamidoethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(2-acetamidoethylsulfamoyl)propanoic acid
PubChem CID43552803
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name3-(2-acetamidoethylsulfamoyl)propanoic acid
SMILESCC(=O)NCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-6(10)8-3-4-9-15(13,14)5-2-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12)
InChIKeyMVFCIVRTXUZUTP-UHFFFAOYSA-N
XLogP-1.48
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.48
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

2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid
CID 60950382
4-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]butanoic acid
CID 60950540
3-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]propanoic acid
CID 60950541
2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]propanoic acid
CID 61457881
3-Acetamido-2-sulfopropanoic acid
CID 24977625
3-[2-(Dimethylamino)ethylsulfamoyl]propanoic acid
CID 28773454
2-[(2-Aminoacetyl)amino]-3-sulfopropanoic acid
CID 57832039
3-(2-Acetamidoethylsulfonylamino)propanoic acid
CID 58995667
(2R)-3-(2-acetamidoethylsulfamoyl)-2-aminopropanoic acid
CID 87289666
3-(2-Acetamidoethylsulfamoyl)-2-aminopropanoic acid
CID 87289667
2-[[2-(Pentylsulfonylamino)acetyl]amino]acetic acid
CID 88055904
(2S)-4-(2-acetamidoethylsulfamoyl)-2-aminobutanoic acid
CID 89124138

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethylsulfamoyl)propanoic acid?
The IUPAC name of 3-(2-acetamidoethylsulfamoyl)propanoic acid (CID 43552803) is 3-(2-acetamidoethylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(2-acetamidoethylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(2-acetamidoethylsulfamoyl)propanoic acid is CC(=O)NCCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2-acetamidoethylsulfamoyl)propanoic acid?
The InChIKey is MVFCIVRTXUZUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-6(10)8-3-4-9-15(13,14)5-2-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 3-(2-acetamidoethylsulfamoyl)propanoic acid?
3-(2-acetamidoethylsulfamoyl)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoethylsulfamoyl)propanoic acid is sourced from PubChem (CID 43552803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).