dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate

C14H24N2O5 — CID 20684975

IUPACdipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCC(C)OC(=O)N1C2CC(N1C(=O)OC(C)C)C(C)(O)C2
InChIInChI=1S/C14H24N2O5/c1-8(2)20-12(17)15-10-6-11(14(5,19)7-10)16(15)13(18)21-9(3)4/h8-11,19H,6-7H2,1-5H3
InChIKeyAWAWQBZNPJOGOK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.89
Rot. Bonds2

About dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate

dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 20684975) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID20684975
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namedipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCC(C)OC(=O)N1C2CC(N1C(=O)OC(C)C)C(C)(O)C2
InChIInChI=1S/C14H24N2O5/c1-8(2)20-12(17)15-10-6-11(14(5,19)7-10)16(15)13(18)21-9(3)4/h8-11,19H,6-7H2,1-5H3
InChIKeyAWAWQBZNPJOGOK-UHFFFAOYSA-N
XLogP1.89
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate 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 dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 20684975) is dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate is CC(C)OC(=O)N1C2CC(N1C(=O)OC(C)C)C(C)(O)C2.
What is the InChIKey of dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is AWAWQBZNPJOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-8(2)20-12(17)15-10-6-11(14(5,19)7-10)16(15)13(18)21-9(3)4/h8-11,19H,6-7H2,1-5H3.
What are the key properties of dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate?
dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-hydroxy-5-methyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 20684975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).