2-(2-methyl-3-sulfamoylanilino)propanoic acid

C10H14N2O4S — CID 66173145

IUPAC2-(2-methyl-3-sulfamoylanilino)propanoic acid
SMILESCc1c(NC(C)C(=O)O)cccc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-6-8(12-7(2)10(13)14)4-3-5-9(6)17(11,15)16/h3-5,7,12H,1-2H3,(H,13,14)(H2,11,15,16)
InChIKeyUGKFMLREUQQEGI-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.53
Rot. Bonds4

About 2-(2-methyl-3-sulfamoylanilino)propanoic acid

2-(2-methyl-3-sulfamoylanilino)propanoic acid (PubChem CID 66173145) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(2-methyl-3-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-3-sulfamoylanilino)propanoic acid
PubChem CID66173145
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(2-methyl-3-sulfamoylanilino)propanoic acid
SMILESCc1c(NC(C)C(=O)O)cccc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-6-8(12-7(2)10(13)14)4-3-5-9(6)17(11,15)16/h3-5,7,12H,1-2H3,(H,13,14)(H2,11,15,16)
InChIKeyUGKFMLREUQQEGI-UHFFFAOYSA-N
XLogP0.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
2-(2-aminoanilino)propanoic acid
CID 67237083
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589
2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
N-(2-methyl-3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130286
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
N-(2-methyl-3-sulfamoylphenyl)formamide
CID 64992566
2-(2-methylsulfonylanilino)propanamide
CID 43402598

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-sulfamoylanilino)propanoic acid?
The IUPAC name of 2-(2-methyl-3-sulfamoylanilino)propanoic acid (CID 66173145) is 2-(2-methyl-3-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 2-(2-methyl-3-sulfamoylanilino)propanoic acid?
The canonical SMILES for 2-(2-methyl-3-sulfamoylanilino)propanoic acid is Cc1c(NC(C)C(=O)O)cccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methyl-3-sulfamoylanilino)propanoic acid?
The InChIKey is UGKFMLREUQQEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-8(12-7(2)10(13)14)4-3-5-9(6)17(11,15)16/h3-5,7,12H,1-2H3,(H,13,14)(H2,11,15,16).
What are the key properties of 2-(2-methyl-3-sulfamoylanilino)propanoic acid?
2-(2-methyl-3-sulfamoylanilino)propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 66173145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).