2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid

C5H12N2O5S — CID 114806493

IUPAC2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid
SMILESCNS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C5H12N2O5S/c1-5(10,4(8)9)3-7-13(11,12)6-2/h6-7,10H,3H2,1-2H3,(H,8,9)
InChIKeyCBBFMLQCVBZIRA-UHFFFAOYSA-N
MW212.23 g/mol
LogP-2.12
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid (PubChem CID 114806493) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid
PubChem CID114806493
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid
SMILESCNS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C5H12N2O5S/c1-5(10,4(8)9)3-7-13(11,12)6-2/h6-7,10H,3H2,1-2H3,(H,8,9)
InChIKeyCBBFMLQCVBZIRA-UHFFFAOYSA-N
XLogP-2.12
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid
CID 114814696
2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
CID 122071429
2,2-dimethyl-N-(methylsulfamoyl)pentane-1,5-diamine
CID 106141802
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
3-[(3,4-dichlorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071355
3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
CID 122071580
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid (CID 114806493) is 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid is CNS(=O)(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid?
The InChIKey is CBBFMLQCVBZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c1-5(10,4(8)9)3-7-13(11,12)6-2/h6-7,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid has a molecular weight of 212.23 g/mol, XLogP of -2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114806493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).