2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid

C10H21NO6S — CID 54947656

IUPAC2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid
SMILESCOCCCN(CCOC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H21NO6S/c1-9(10(12)13)18(14,15)11(6-8-17-3)5-4-7-16-2/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyIRLIDPCMRUNXRN-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.23
Rot. Bonds10

About 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid

2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid (PubChem CID 54947656) has the molecular formula C10H21NO6S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid
PubChem CID54947656
Molecular FormulaC10H21NO6S
Molecular Weight283.35 g/mol
Exact Mass283.11
IUPAC Name2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid
SMILESCOCCCN(CCOC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H21NO6S/c1-9(10(12)13)18(14,15)11(6-8-17-3)5-4-7-16-2/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyIRLIDPCMRUNXRN-UHFFFAOYSA-N
XLogP-0.23
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
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 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid (CID 54947656) is 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid is COCCCN(CCOC)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid?
The InChIKey is IRLIDPCMRUNXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO6S/c1-9(10(12)13)18(14,15)11(6-8-17-3)5-4-7-16-2/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid?
2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid has a molecular weight of 283.35 g/mol, XLogP of -0.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).