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

C13H20N2O4S — CID 43172432

IUPAC4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid
SMILESCc1csc(=O)n1CCCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H20N2O4S/c1-10-9-20-13(19)15(10)8-3-5-11(16)14(2)7-4-6-12(17)18/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyVLEXEXBQSCJNOO-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.32
Rot. Bonds8

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

4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid (PubChem CID 43172432) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid
PubChem CID43172432
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid
SMILESCc1csc(=O)n1CCCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H20N2O4S/c1-10-9-20-13(19)15(10)8-3-5-11(16)14(2)7-4-6-12(17)18/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyVLEXEXBQSCJNOO-UHFFFAOYSA-N
XLogP1.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid with MolForge

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Related Compounds

4-Methyl-2-oxo-3(2H)-thiazolebutanoic acid
CID 4962566
4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoate
CID 7129296
4-(4-Tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
CID 16768110
4-[Methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43172434
Methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
CID 43216087
4-(2-Oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid
CID 43286958
1-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid
CID 43354209
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43354844
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
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43360927

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid (CID 43172432) is 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid is Cc1csc(=O)n1CCCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid?
The InChIKey is VLEXEXBQSCJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-9-20-13(19)15(10)8-3-5-11(16)14(2)7-4-6-12(17)18/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid?
4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid has a molecular weight of 300.38 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid is sourced from PubChem (CID 43172432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).