4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid

C11H16N2O4S — CID 43172434

IUPAC4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8-7-18-11(17)13(8)6-9(14)12(2)5-3-4-10(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyADNAGOBOPXLNRE-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.54
Rot. Bonds6

About 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid

4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 43172434) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
PubChem CID43172434
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8-7-18-11(17)13(8)6-9(14)12(2)5-3-4-10(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyADNAGOBOPXLNRE-UHFFFAOYSA-N
XLogP0.54
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic 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

4-Methyl-2-oxo-3(2H)-thiazolebutanoic acid
CID 4962566
1-[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 43170467
4-[Methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid
CID 43172432
4-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43355099
4-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43355104
2-[Methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
CID 43356320
2-[[2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]acetyl]amino]acetic acid
CID 43465399
3-[4-[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43522044
2-[Ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
CID 54900801
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 54926464
Methyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoate
CID 54943494
2-Methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 55007900

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (CID 43172434) is 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is Cc1csc(=O)n1CC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is ADNAGOBOPXLNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-7-18-11(17)13(8)6-9(14)12(2)5-3-4-10(15)16/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43172434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).