ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate

C11H14N2O4 — CID 103484764

IUPACethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate
SMILESCCOC(=O)CCC(=O)Cn1cnccc1=O
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)4-3-9(14)7-13-8-12-6-5-10(13)15/h5-6,8H,2-4,7H2,1H3
InChIKeySAQFVHXOTSMBOC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.16
Rot. Bonds6

About ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate

ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate (PubChem CID 103484764) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate
PubChem CID103484764
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate
SMILESCCOC(=O)CCC(=O)Cn1cnccc1=O
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)4-3-9(14)7-13-8-12-6-5-10(13)15/h5-6,8H,2-4,7H2,1H3
InChIKeySAQFVHXOTSMBOC-UHFFFAOYSA-N
XLogP0.16
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate 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 ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate?
The IUPAC name of ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate (CID 103484764) is ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate?
The canonical SMILES for ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate is CCOC(=O)CCC(=O)Cn1cnccc1=O.
What is the InChIKey of ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate?
The InChIKey is SAQFVHXOTSMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-11(16)4-3-9(14)7-13-8-12-6-5-10(13)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate?
ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate has a molecular weight of 238.24 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-(6-oxopyrimidin-1-yl)pentanoate is sourced from PubChem (CID 103484764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).