ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate

C14H26N2O5 — CID 10638103

IUPACditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-7-10(17)8-16(9-15)12(19)21-14(4,5)6/h10,17H,7-9H2,1-6H3
InChIKeyWUMWHTXGFGFRLV-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.79
Rot. Bonds

About ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate

ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate (PubChem CID 10638103) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate
PubChem CID10638103
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nameditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-7-10(17)8-16(9-15)12(19)21-14(4,5)6/h10,17H,7-9H2,1-6H3
InChIKeyWUMWHTXGFGFRLV-UHFFFAOYSA-N
XLogP1.79
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate?
The IUPAC name of ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate (CID 10638103) is ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate.
What is the SMILES notation for ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate?
The canonical SMILES for ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate is CC(C)(C)OC(=O)N1CC(O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate?
The InChIKey is WUMWHTXGFGFRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-7-10(17)8-16(9-15)12(19)21-14(4,5)6/h10,17H,7-9H2,1-6H3.
What are the key properties of ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate?
ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate has a molecular weight of 302.37 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 5-hydroxy-1,3-diazinane-1,3-dicarboxylate is sourced from PubChem (CID 10638103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).