methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

C9H16ClNO2 — CID 86811242

IUPACmethyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)6-4-7-2-3-8(5-6)10-7;/h6-8,10H,2-5H2,1H3;1H/t6?,7-,8+;
InChIKeyKZTRYJKFHSPQLU-OPZYXJLOSA-N
MW205.68 g/mol
LogP1.11
Rot. Bonds1

About methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride (PubChem CID 86811242) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
PubChem CID86811242
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)6-4-7-2-3-8(5-6)10-7;/h6-8,10H,2-5H2,1H3;1H/t6?,7-,8+;
InChIKeyKZTRYJKFHSPQLU-OPZYXJLOSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The IUPAC name of methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride (CID 86811242) is methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride is COC(=O)C1C[C@H]2CC[C@@H](C1)N2.Cl.
What is the InChIKey of methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The InChIKey is KZTRYJKFHSPQLU-OPZYXJLOSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-9(11)6-4-7-2-3-8(5-6)10-7;/h6-8,10H,2-5H2,1H3;1H/t6?,7-,8+;.
What are the key properties of methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride is sourced from PubChem (CID 86811242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).