methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate

C11H15N3O7 — CID 58463167

IUPACmethyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
SMILESCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC)c1=O
InChIInChI=1S/C11H15N3O7/c1-20-7(15)3-5-13-9(17)12-10(18)14(11(13)19)6-4-8(16)21-2/h3-6H2,1-2H3,(H,12,17,18)
InChIKeyHJNRUQVDNNCCHQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP-2.18
Rot. Bonds6

About methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate

methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate (PubChem CID 58463167) has the molecular formula C11H15N3O7 and a molecular weight of 301.26 g/mol. Its IUPAC name is methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
PubChem CID58463167
Molecular FormulaC11H15N3O7
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Namemethyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
SMILESCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC)c1=O
InChIInChI=1S/C11H15N3O7/c1-20-7(15)3-5-13-9(17)12-10(18)14(11(13)19)6-4-8(16)21-2/h3-6H2,1-2H3,(H,12,17,18)
InChIKeyHJNRUQVDNNCCHQ-UHFFFAOYSA-N
XLogP-2.18
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate 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 methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate (CID 58463167) is methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate is COC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC)c1=O.
What is the InChIKey of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?
The InChIKey is HJNRUQVDNNCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O7/c1-20-7(15)3-5-13-9(17)12-10(18)14(11(13)19)6-4-8(16)21-2/h3-6H2,1-2H3,(H,12,17,18).
What are the key properties of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?
methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate has a molecular weight of 301.26 g/mol, XLogP of -2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate is sourced from PubChem (CID 58463167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).