oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

C14H24N2O3 — CID 142326666

IUPACoxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCCC(C)N1CC2CC(C1)N2C(=O)OC1CCOC1
InChIInChI=1S/C14H24N2O3/c1-3-10(2)15-7-11-6-12(8-15)16(11)14(17)19-13-4-5-18-9-13/h10-13H,3-9H2,1-2H3
InChIKeyFVFQTOURNZAOQP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.47
Rot. Bonds3

About oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (PubChem CID 142326666) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
PubChem CID142326666
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameoxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCCC(C)N1CC2CC(C1)N2C(=O)OC1CCOC1
InChIInChI=1S/C14H24N2O3/c1-3-10(2)15-7-11-6-12(8-15)16(11)14(17)19-13-4-5-18-9-13/h10-13H,3-9H2,1-2H3
InChIKeyFVFQTOURNZAOQP-UHFFFAOYSA-N
XLogP1.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The IUPAC name of oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (CID 142326666) is oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.
What is the SMILES notation for oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The canonical SMILES for oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is CCC(C)N1CC2CC(C1)N2C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The InChIKey is FVFQTOURNZAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-10(2)15-7-11-6-12(8-15)16(11)14(17)19-13-4-5-18-9-13/h10-13H,3-9H2,1-2H3.
What are the key properties of oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-butan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is sourced from PubChem (CID 142326666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).