propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

C14H26N2O3 — CID 58414594

IUPACpropan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
SMILESCC(C)OC(=O)N1CC2(C)CN(C)CC(C)(C1)C2O
InChIInChI=1S/C14H26N2O3/c1-10(2)19-12(18)16-8-13(3)6-15(5)7-14(4,9-16)11(13)17/h10-11,17H,6-9H2,1-5H3
InChIKeyUCFMLSZHKTVSSS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds1

About propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 58414594) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
PubChem CID58414594
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namepropan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
SMILESCC(C)OC(=O)N1CC2(C)CN(C)CC(C)(C1)C2O
InChIInChI=1S/C14H26N2O3/c1-10(2)19-12(18)16-8-13(3)6-15(5)7-14(4,9-16)11(13)17/h10-11,17H,6-9H2,1-5H3
InChIKeyUCFMLSZHKTVSSS-UHFFFAOYSA-N
XLogP1.17
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate (CID 58414594) is propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate is CC(C)OC(=O)N1CC2(C)CN(C)CC(C)(C1)C2O.
What is the InChIKey of propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is UCFMLSZHKTVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)19-12(18)16-8-13(3)6-15(5)7-14(4,9-16)11(13)17/h10-11,17H,6-9H2,1-5H3.
What are the key properties of propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate?
propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 58414594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).