3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid

C7H15N3O6S — CID 83201898

IUPAC3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C7H15N3O6S/c1-10(4-2-6(11)12)17(14,15)9-3-5-16-7(8)13/h9H,2-5H2,1H3,(H2,8,13)(H,11,12)
InChIKeySUDYBJHAORWDKP-UHFFFAOYSA-N
MW269.28 g/mol
LogP-1.68
Rot. Bonds8

About 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid

3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid (PubChem CID 83201898) has the molecular formula C7H15N3O6S and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid
PubChem CID83201898
Molecular FormulaC7H15N3O6S
Molecular Weight269.28 g/mol
Exact Mass269.07
IUPAC Name3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C7H15N3O6S/c1-10(4-2-6(11)12)17(14,15)9-3-5-16-7(8)13/h9H,2-5H2,1H3,(H2,8,13)(H,11,12)
InChIKeySUDYBJHAORWDKP-UHFFFAOYSA-N
XLogP-1.68
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid (CID 83201898) is 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid is CN(CCC(=O)O)S(=O)(=O)NCCOC(N)=O.
What is the InChIKey of 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid?
The InChIKey is SUDYBJHAORWDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O6S/c1-10(4-2-6(11)12)17(14,15)9-3-5-16-7(8)13/h9H,2-5H2,1H3,(H2,8,13)(H,11,12).
What are the key properties of 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid?
3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid has a molecular weight of 269.28 g/mol, XLogP of -1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 83201898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).