2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid

C8H12N2O2S — CID 78969560

IUPAC2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
SMILESCC(C)(NCc1nccs1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-8(2,7(11)12)10-5-6-9-3-4-13-6/h3-4,10H,5H2,1-2H3,(H,11,12)
InChIKeySVQHDMITECJXIZ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.10
Rot. Bonds4

About 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid

2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid (PubChem CID 78969560) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
PubChem CID78969560
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
SMILESCC(C)(NCc1nccs1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-8(2,7(11)12)10-5-6-9-3-4-13-6/h3-4,10H,5H2,1-2H3,(H,11,12)
InChIKeySVQHDMITECJXIZ-UHFFFAOYSA-N
XLogP1.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(1,3-thiazol-2-ylmethylamino)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

3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 115000886
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
CID 144892398
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid (CID 78969560) is 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid is CC(C)(NCc1nccs1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
The InChIKey is SVQHDMITECJXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,7(11)12)10-5-6-9-3-4-13-6/h3-4,10H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 78969560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).