2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid

C12H18N2O4S — CID 61263196

IUPAC2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-8-7-19-11(18)14(8)6-4-5-9(15)13-12(2,3)10(16)17/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyUSSWAQCPRMBWAF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.98
Rot. Bonds6

About 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid

2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (PubChem CID 61263196) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
PubChem CID61263196
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-8-7-19-11(18)14(8)6-4-5-9(15)13-12(2,3)10(16)17/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyUSSWAQCPRMBWAF-UHFFFAOYSA-N
XLogP0.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (CID 61263196) is 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is Cc1csc(=O)n1CCCC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The InChIKey is USSWAQCPRMBWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8-7-19-11(18)14(8)6-4-5-9(15)13-12(2,3)10(16)17/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 61263196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).