2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid

C11H15N3O5S — CID 61266531

IUPAC2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)(NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-11(2,9(15)16)14-10(17)13-7-4-3-5-8(6-7)20(12,18)19/h3-6H,1-2H3,(H,15,16)(H2,12,18,19)(H2,13,14,17)
InChIKeyPKHBXHKXQNUYPH-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.32
Rot. Bonds4

About 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid

2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid (PubChem CID 61266531) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
PubChem CID61266531
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)(NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-11(2,9(15)16)14-10(17)13-7-4-3-5-8(6-7)20(12,18)19/h3-6H,1-2H3,(H,15,16)(H2,12,18,19)(H2,13,14,17)
InChIKeyPKHBXHKXQNUYPH-UHFFFAOYSA-N
XLogP0.32
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
2-(ethylamino)-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55121317
2-[(3-ethynylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266328
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 25263014
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
CID 129396881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid (CID 61266531) is 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid is CC(C)(NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
The InChIKey is PKHBXHKXQNUYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-11(2,9(15)16)14-10(17)13-7-4-3-5-8(6-7)20(12,18)19/h3-6H,1-2H3,(H,15,16)(H2,12,18,19)(H2,13,14,17).
What are the key properties of 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid has a molecular weight of 301.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61266531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).