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

C11H16N2O4S — CID 43356320

IUPAC2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
SMILESCc1csc(=O)n1CCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8-7-18-11(17)13(8)5-3-4-9(14)12(2)6-10(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyIBLLTBZVDQNMLN-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.54
Rot. Bonds6

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

2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid (PubChem CID 43356320) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
PubChem CID43356320
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
SMILESCc1csc(=O)n1CCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8-7-18-11(17)13(8)5-3-4-9(14)12(2)6-10(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyIBLLTBZVDQNMLN-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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid (CID 43356320) is 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid is Cc1csc(=O)n1CCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The InChIKey is IBLLTBZVDQNMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-7-18-11(17)13(8)5-3-4-9(14)12(2)6-10(15)16/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic 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 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid is sourced from PubChem (CID 43356320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).