methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate

C12H19NO3 — CID 727235

IUPACmethyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate
SMILESCOC(=O)C12CCCC(C(N)=O)(CCC1)C2
InChIInChI=1S/C12H19NO3/c1-16-10(15)12-6-2-4-11(8-12,9(13)14)5-3-7-12/h2-8H2,1H3,(H2,13,14)
InChIKeyJZUOMOLHTBICTP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.38
Rot. Bonds2

About methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate

methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate (PubChem CID 727235) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate
PubChem CID727235
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate
SMILESCOC(=O)C12CCCC(C(N)=O)(CCC1)C2
InChIInChI=1S/C12H19NO3/c1-16-10(15)12-6-2-4-11(8-12,9(13)14)5-3-7-12/h2-8H2,1H3,(H2,13,14)
InChIKeyJZUOMOLHTBICTP-UHFFFAOYSA-N
XLogP1.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate?
The IUPAC name of methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate (CID 727235) is methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate.
What is the SMILES notation for methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate?
The canonical SMILES for methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate is COC(=O)C12CCCC(C(N)=O)(CCC1)C2.
What is the InChIKey of methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate?
The InChIKey is JZUOMOLHTBICTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-16-10(15)12-6-2-4-11(8-12,9(13)14)5-3-7-12/h2-8H2,1H3,(H2,13,14).
What are the key properties of methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate?
methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate is sourced from PubChem (CID 727235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).