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

C13H20N2O4S — CID 43630966

IUPAC2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCCn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-3-5-10(12(17)18)14-11(16)6-4-7-15-9(2)8-20-13(15)19/h8,10H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyFPCOTXPWLXHDBF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.37
Rot. Bonds8

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

2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid (PubChem CID 43630966) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
PubChem CID43630966
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCCn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-3-5-10(12(17)18)14-11(16)6-4-7-15-9(2)8-20-13(15)19/h8,10H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyFPCOTXPWLXHDBF-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.37
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]pentanoic acid?
The IUPAC name of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid (CID 43630966) is 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid.
What is the SMILES notation for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
The canonical SMILES for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid is CCCC(NC(=O)CCCn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
The InChIKey is FPCOTXPWLXHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-5-10(12(17)18)14-11(16)6-4-7-15-9(2)8-20-13(15)19/h8,10H,3-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid has a molecular weight of 300.38 g/mol, XLogP of 1.37, 8 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]pentanoic acid is sourced from PubChem (CID 43630966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).