trimethyl 1,3-diazinane-1,3,5-tricarboxylate

C10H16N2O6 — CID 6483784

IUPACtrimethyl 1,3-diazinane-1,3,5-tricarboxylate
SMILESCOC(=O)C1CN(C(=O)OC)CN(C(=O)OC)C1
InChIInChI=1S/C10H16N2O6/c1-16-8(13)7-4-11(9(14)17-2)6-12(5-7)10(15)18-3/h7H,4-6H2,1-3H3
InChIKeyASUSSIHMGWAZJF-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.12
Rot. Bonds1

About trimethyl 1,3-diazinane-1,3,5-tricarboxylate

trimethyl 1,3-diazinane-1,3,5-tricarboxylate (PubChem CID 6483784) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is trimethyl 1,3-diazinane-1,3,5-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 1,3-diazinane-1,3,5-tricarboxylate
PubChem CID6483784
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Nametrimethyl 1,3-diazinane-1,3,5-tricarboxylate
SMILESCOC(=O)C1CN(C(=O)OC)CN(C(=O)OC)C1
InChIInChI=1S/C10H16N2O6/c1-16-8(13)7-4-11(9(14)17-2)6-12(5-7)10(15)18-3/h7H,4-6H2,1-3H3
InChIKeyASUSSIHMGWAZJF-UHFFFAOYSA-N
XLogP-0.12
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
methyl 1-butanoylazetidine-3-carboxylate
CID 54459315
methyl 1-prop-2-enoylazetidine-3-carboxylate
CID 67966191
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414
methyl 1,4-dimethyl-1,4-diazepane-6-carboxylate
CID 118068295
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate
CID 143455372
methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate
CID 121322050
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684

Frequently Asked Questions

What is the IUPAC name of trimethyl 1,3-diazinane-1,3,5-tricarboxylate?
The IUPAC name of trimethyl 1,3-diazinane-1,3,5-tricarboxylate (CID 6483784) is trimethyl 1,3-diazinane-1,3,5-tricarboxylate.
What is the SMILES notation for trimethyl 1,3-diazinane-1,3,5-tricarboxylate?
The canonical SMILES for trimethyl 1,3-diazinane-1,3,5-tricarboxylate is COC(=O)C1CN(C(=O)OC)CN(C(=O)OC)C1.
What is the InChIKey of trimethyl 1,3-diazinane-1,3,5-tricarboxylate?
The InChIKey is ASUSSIHMGWAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-16-8(13)7-4-11(9(14)17-2)6-12(5-7)10(15)18-3/h7H,4-6H2,1-3H3.
What are the key properties of trimethyl 1,3-diazinane-1,3,5-tricarboxylate?
trimethyl 1,3-diazinane-1,3,5-tricarboxylate has a molecular weight of 260.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 1,3-diazinane-1,3,5-tricarboxylate is sourced from PubChem (CID 6483784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).