ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate

C10H18N2O3 — CID 115371201

IUPACethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-2-15-9(13)5-3-7-12-8-4-6-11-10(12)14/h2-8H2,1H3,(H,11,14)
InChIKeyITFTTZXUDKOUJN-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.75
Rot. Bonds5

About ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate

ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate (PubChem CID 115371201) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate
PubChem CID115371201
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-2-15-9(13)5-3-7-12-8-4-6-11-10(12)14/h2-8H2,1H3,(H,11,14)
InChIKeyITFTTZXUDKOUJN-UHFFFAOYSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate 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-(2-oxo-1,3-diazinan-1-yl)butanoate?
The IUPAC name of ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate (CID 115371201) is ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate?
The canonical SMILES for ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate is CCOC(=O)CCCN1CCCNC1=O.
What is the InChIKey of ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate?
The InChIKey is ITFTTZXUDKOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-15-9(13)5-3-7-12-8-4-6-11-10(12)14/h2-8H2,1H3,(H,11,14).
What are the key properties of ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate?
ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate has a molecular weight of 214.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate is sourced from PubChem (CID 115371201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).