3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid

C9H18N2O5S — CID 114814428

IUPAC3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
SMILESCOCCNS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H18N2O5S/c1-16-7-5-10-17(14,15)11(8-2-3-8)6-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyOVWUUMYQGJLLKF-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.59
Rot. Bonds9

About 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid

3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid (PubChem CID 114814428) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
PubChem CID114814428
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
SMILESCOCCNS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H18N2O5S/c1-16-7-5-10-17(14,15)11(8-2-3-8)6-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyOVWUUMYQGJLLKF-UHFFFAOYSA-N
XLogP-0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583
2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethylsulfamoyl)amino]acetic acid
CID 114814426
3-[2-methoxyethylsulfamoyl(propyl)amino]pyrrolidine
CID 114814259
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
2-[cyclopentyl(2-methoxyethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978825
4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
CID 114814446
[2-aminoethyl(propylsulfamoyl)amino]cyclopropane
CID 114803736
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid (CID 114814428) is 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid is COCCNS(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid?
The InChIKey is OVWUUMYQGJLLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-16-7-5-10-17(14,15)11(8-2-3-8)6-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid?
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114814428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).