oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

C14H24N2O3 — CID 134506702

IUPACoxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)N1CC2CC(C1)N2C(=O)OC1CCOCC1
InChIInChI=1S/C14H24N2O3/c1-10(2)15-8-11-7-12(9-15)16(11)14(17)19-13-3-5-18-6-4-13/h10-13H,3-9H2,1-2H3
InChIKeyPJUMUHQMSIVWAX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.47
Rot. Bonds2

About oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (PubChem CID 134506702) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
PubChem CID134506702
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameoxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)N1CC2CC(C1)N2C(=O)OC1CCOCC1
InChIInChI=1S/C14H24N2O3/c1-10(2)15-8-11-7-12(9-15)16(11)14(17)19-13-3-5-18-6-4-13/h10-13H,3-9H2,1-2H3
InChIKeyPJUMUHQMSIVWAX-UHFFFAOYSA-N
XLogP1.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 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 oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The IUPAC name of oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (CID 134506702) is oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.
What is the SMILES notation for oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The canonical SMILES for oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is CC(C)N1CC2CC(C1)N2C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The InChIKey is PJUMUHQMSIVWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)15-8-11-7-12(9-15)16(11)14(17)19-13-3-5-18-6-4-13/h10-13H,3-9H2,1-2H3.
What are the key properties of oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is sourced from PubChem (CID 134506702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).