2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid

C15H21N3O6S — CID 119358812

IUPAC2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1
InChIInChI=1S/C15H21N3O6S/c1-10(15(20)21)17(2)14(19)12-9-11(25(16,22)23)3-4-13(12)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)(H2,16,22,23)
InChIKeyMAOVCJFELGABID-UHFFFAOYSA-N
MW371.42 g/mol
LogP-0.28
Rot. Bonds5

About 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid

2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid (PubChem CID 119358812) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
PubChem CID119358812
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1
InChIInChI=1S/C15H21N3O6S/c1-10(15(20)21)17(2)14(19)12-9-11(25(16,22)23)3-4-13(12)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)(H2,16,22,23)
InChIKeyMAOVCJFELGABID-UHFFFAOYSA-N
XLogP-0.28
TPSA130.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid (CID 119358812) is 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1.
What is the InChIKey of 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid?
The InChIKey is MAOVCJFELGABID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S/c1-10(15(20)21)17(2)14(19)12-9-11(25(16,22)23)3-4-13(12)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)(H2,16,22,23).
What are the key properties of 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid?
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid has a molecular weight of 371.42 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 119358812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).