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

C11H16N2O4S — CID 43355363

IUPAC2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7-6-18-11(17)13(7)5-3-4-9(14)12-8(2)10(15)16/h6,8H,3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBXQHUCSKXNFXPO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.59
Rot. Bonds6

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

2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (PubChem CID 43355363) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
PubChem CID43355363
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7-6-18-11(17)13(7)5-3-4-9(14)12-8(2)10(15)16/h6,8H,3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBXQHUCSKXNFXPO-UHFFFAOYSA-N
XLogP0.59
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The IUPAC name of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (CID 43355363) is 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.
What is the SMILES notation for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The canonical SMILES for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is Cc1csc(=O)n1CCCC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The InChIKey is BXQHUCSKXNFXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-6-18-11(17)13(7)5-3-4-9(14)12-8(2)10(15)16/h6,8H,3-5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 43355363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).