3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid

C11H17N3O6S — CID 103153124

IUPAC3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1cc(S(N)(=O)=O)cn1C)CC(=O)O
InChIInChI=1S/C11H17N3O6S/c1-14-6-8(21(12,18)19)4-9(14)11(17)13-5-7(20-2)3-10(15)16/h4,6-7H,3,5H2,1-2H3,(H,13,17)(H,15,16)(H2,12,18,19)
InChIKeySNTHCGYYJNEXLD-UHFFFAOYSA-N
MW319.34 g/mol
LogP-1.11
Rot. Bonds7

About 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid

3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 103153124) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID103153124
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1cc(S(N)(=O)=O)cn1C)CC(=O)O
InChIInChI=1S/C11H17N3O6S/c1-14-6-8(21(12,18)19)4-9(14)11(17)13-5-7(20-2)3-10(15)16/h4,6-7H,3,5H2,1-2H3,(H,13,17)(H,15,16)(H2,12,18,19)
InChIKeySNTHCGYYJNEXLD-UHFFFAOYSA-N
XLogP-1.11
TPSA140.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (CID 103153124) is 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is COC(CNC(=O)c1cc(S(N)(=O)=O)cn1C)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is SNTHCGYYJNEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-14-6-8(21(12,18)19)4-9(14)11(17)13-5-7(20-2)3-10(15)16/h4,6-7H,3,5H2,1-2H3,(H,13,17)(H,15,16)(H2,12,18,19).
What are the key properties of 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 319.34 g/mol, XLogP of -1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103153124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).