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

C12H18N2O4S — CID 54900801

IUPAC2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-3-13(7-11(16)17)10(15)5-4-6-14-9(2)8-19-12(14)18/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyAPEPZWWEXOWCKW-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.93
Rot. Bonds7

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

2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid (PubChem CID 54900801) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
PubChem CID54900801
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-3-13(7-11(16)17)10(15)5-4-6-14-9(2)8-19-12(14)18/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyAPEPZWWEXOWCKW-UHFFFAOYSA-N
XLogP0.93
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid (CID 54900801) is 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CCCn1c(C)csc1=O.
What is the InChIKey of 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The InChIKey is APEPZWWEXOWCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-13(7-11(16)17)10(15)5-4-6-14-9(2)8-19-12(14)18/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid is sourced from PubChem (CID 54900801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).