4-(2-methoxyethylsulfamoylamino)butanoic acid

C7H16N2O5S — CID 114814293

IUPAC4-(2-methoxyethylsulfamoylamino)butanoic acid
SMILESCOCCNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C7H16N2O5S/c1-14-6-5-9-15(12,13)8-4-2-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyPOHSYJDJNDCZTL-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.08
Rot. Bonds9

About 4-(2-methoxyethylsulfamoylamino)butanoic acid

4-(2-methoxyethylsulfamoylamino)butanoic acid (PubChem CID 114814293) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoylamino)butanoic acid
PubChem CID114814293
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name4-(2-methoxyethylsulfamoylamino)butanoic acid
SMILESCOCCNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C7H16N2O5S/c1-14-6-5-9-15(12,13)8-4-2-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyPOHSYJDJNDCZTL-UHFFFAOYSA-N
XLogP-1.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.08
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(2-methoxyethylsulfamoylamino)butanoic acid (CID 114814293) is 4-(2-methoxyethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(2-methoxyethylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(2-methoxyethylsulfamoylamino)butanoic acid is COCCNS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-methoxyethylsulfamoylamino)butanoic acid?
The InChIKey is POHSYJDJNDCZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-14-6-5-9-15(12,13)8-4-2-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-(2-methoxyethylsulfamoylamino)butanoic acid?
4-(2-methoxyethylsulfamoylamino)butanoic acid has a molecular weight of 240.28 g/mol, XLogP of -1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114814293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).