methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate

C10H15NO3 — CID 134834591

IUPACmethyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
SMILESCOC(=O)N1CC[C@@H]2C[C@H]1CCC2=O
InChIInChI=1S/C10H15NO3/c1-14-10(13)11-5-4-7-6-8(11)2-3-9(7)12/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyIJXICEPACWLXQG-HTQZYQBOSA-N
MW197.23 g/mol
LogP1.20
Rot. Bonds

About methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate

methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate (PubChem CID 134834591) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
PubChem CID134834591
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
SMILESCOC(=O)N1CC[C@@H]2C[C@H]1CCC2=O
InChIInChI=1S/C10H15NO3/c1-14-10(13)11-5-4-7-6-8(11)2-3-9(7)12/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyIJXICEPACWLXQG-HTQZYQBOSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 8-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 102452240
Methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 74627744
Methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 74627769
Ethyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 57485782
2-Methyl-2-azabicyclo[3.3.1]nonane-3,6-dione
CID 58375017
tert-butyl (1S,5R)-3-acetyl-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 126593000
Tert-butyl 3-propanoyl-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 145147350
methyl N-(3-acetylcyclohexyl)-N-methylcarbamate
CID 174421280
2-Methyl-2-azabicyclo[3.3.1]nonane-3,8-dione
CID 13527914
Tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate
CID 15488079
Ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
CID 79553250
Methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
CID 79553561

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate?
The IUPAC name of methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate (CID 134834591) is methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate.
What is the SMILES notation for methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate?
The canonical SMILES for methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate is COC(=O)N1CC[C@@H]2C[C@H]1CCC2=O.
What is the InChIKey of methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate?
The InChIKey is IJXICEPACWLXQG-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10(13)11-5-4-7-6-8(11)2-3-9(7)12/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate?
methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate is sourced from PubChem (CID 134834591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).