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

C8H18N2O5S — CID 82706471

IUPAC3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid
SMILESCC(C)CONS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-7(2)6-15-9-16(13,14)10(3)5-4-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyOXMKNDYFEGJNFA-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.19
Rot. Bonds8

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

3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid (PubChem CID 82706471) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid
PubChem CID82706471
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid
SMILESCC(C)CONS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-7(2)6-15-9-16(13,14)10(3)5-4-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyOXMKNDYFEGJNFA-UHFFFAOYSA-N
XLogP-0.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid (CID 82706471) is 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid is CC(C)CONS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid?
The InChIKey is OXMKNDYFEGJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-7(2)6-15-9-16(13,14)10(3)5-4-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid?
3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropoxysulfamoyl)amino]propanoic acid is sourced from PubChem (CID 82706471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).