3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid

C8H18N2O6S — CID 103153508

IUPAC3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid
SMILESCOCCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C8H18N2O6S/c1-15-4-3-9-17(13,14)10-6-7(16-2)5-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyLUNOKEDOBROPMO-UHFFFAOYSA-N
MW270.31 g/mol
LogP-1.45
Rot. Bonds10

About 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid

3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid (PubChem CID 103153508) has the molecular formula C8H18N2O6S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid
PubChem CID103153508
Molecular FormulaC8H18N2O6S
Molecular Weight270.31 g/mol
Exact Mass270.09
IUPAC Name3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid
SMILESCOCCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C8H18N2O6S/c1-15-4-3-9-17(13,14)10-6-7(16-2)5-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyLUNOKEDOBROPMO-UHFFFAOYSA-N
XLogP-1.45
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-1.45
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-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid (CID 103153508) is 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid is COCCNS(=O)(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid?
The InChIKey is LUNOKEDOBROPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O6S/c1-15-4-3-9-17(13,14)10-6-7(16-2)5-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid?
3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid has a molecular weight of 270.31 g/mol, XLogP of -1.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 103153508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).