5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid

C10H21N3O6S — CID 106340722

IUPAC5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
SMILESCNS(=O)(=O)CCNC(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C10H21N3O6S/c1-11-20(17,18)7-5-12-10(16)13-8(9(14)15)4-3-6-19-2/h8,11H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyQRYPMNKFUHLNBV-UHFFFAOYSA-N
MW311.36 g/mol
LogP-1.29
Rot. Bonds10

About 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid

5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 106340722) has the molecular formula C10H21N3O6S and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
PubChem CID106340722
Molecular FormulaC10H21N3O6S
Molecular Weight311.36 g/mol
Exact Mass311.12
IUPAC Name5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
SMILESCNS(=O)(=O)CCNC(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C10H21N3O6S/c1-11-20(17,18)7-5-12-10(16)13-8(9(14)15)4-3-6-19-2/h8,11H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyQRYPMNKFUHLNBV-UHFFFAOYSA-N
XLogP-1.29
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340510
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731
2-[2-(methylsulfamoyl)ethylcarbamoylamino]-4-methylsulfonylbutanoic acid
CID 106340544
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 81085400
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
CID 106295178

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid (CID 106340722) is 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid is CNS(=O)(=O)CCNC(=O)NC(CCCOC)C(=O)O.
What is the InChIKey of 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is QRYPMNKFUHLNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O6S/c1-11-20(17,18)7-5-12-10(16)13-8(9(14)15)4-3-6-19-2/h8,11H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 311.36 g/mol, XLogP of -1.29, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106340722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).