2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid

C15H22N2O5S — CID 154838703

IUPAC2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid
SMILESCC[C@@H](NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C)C(N)=O
InChIInChI=1S/C15H22N2O5S/c1-5-12(15(16)20)17-23(21,22)14-9(3)6-8(2)11(10(14)4)7-13(18)19/h6,12,17H,5,7H2,1-4H3,(H2,16,20)(H,18,19)/t12-/m1/s1
InChIKeyMPJPJCPSMPBGBD-GFCCVEGCSA-N
MW342.42 g/mol
LogP0.78
Rot. Bonds7

About 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid

2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid (PubChem CID 154838703) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid
PubChem CID154838703
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid
SMILESCC[C@@H](NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C)C(N)=O
InChIInChI=1S/C15H22N2O5S/c1-5-12(15(16)20)17-23(21,22)14-9(3)6-8(2)11(10(14)4)7-13(18)19/h6,12,17H,5,7H2,1-4H3,(H2,16,20)(H,18,19)/t12-/m1/s1
InChIKeyMPJPJCPSMPBGBD-GFCCVEGCSA-N
XLogP0.78
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid?
The IUPAC name of 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid (CID 154838703) is 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid.
What is the SMILES notation for 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid?
The canonical SMILES for 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid is CC[C@@H](NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C)C(N)=O.
What is the InChIKey of 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid?
The InChIKey is MPJPJCPSMPBGBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-5-12(15(16)20)17-23(21,22)14-9(3)6-8(2)11(10(14)4)7-13(18)19/h6,12,17H,5,7H2,1-4H3,(H2,16,20)(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid?
2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid has a molecular weight of 342.42 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid is sourced from PubChem (CID 154838703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).