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

C14H24N2O2 — CID 134506700

IUPACcyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)N1CC2CC(C1)N2C(=O)OC1CCCC1
InChIInChI=1S/C14H24N2O2/c1-10(2)15-8-11-7-12(9-15)16(11)14(17)18-13-5-3-4-6-13/h10-13H,3-9H2,1-2H3
InChIKeyZJDGTRXEHBBNTL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.23
Rot. Bonds2

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

cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (PubChem CID 134506700) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.

Molecular Properties

Compound Namecyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
PubChem CID134506700
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namecyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)N1CC2CC(C1)N2C(=O)OC1CCCC1
InChIInChI=1S/C14H24N2O2/c1-10(2)15-8-11-7-12(9-15)16(11)14(17)18-13-5-3-4-6-13/h10-13H,3-9H2,1-2H3
InChIKeyZJDGTRXEHBBNTL-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The IUPAC name of cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (CID 134506700) is cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.
What is the SMILES notation for cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The canonical SMILES for cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is CC(C)N1CC2CC(C1)N2C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The InChIKey is ZJDGTRXEHBBNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)15-8-11-7-12(9-15)16(11)14(17)18-13-5-3-4-6-13/h10-13H,3-9H2,1-2H3.
What are the key properties of cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is sourced from PubChem (CID 134506700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).