methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride

C10H18ClNO2 — CID 154814550

IUPACmethyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
SMILESCOC(=O)C1C[C@H]2CNC[C@@H](C1)C2.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-10(12)9-3-7-2-8(4-9)6-11-5-7;/h7-9,11H,2-6H2,1H3;1H/t7-,8+,9?;
InChIKeyIHEQJFFMBNDUSB-VMNZFRLGSA-N
MW219.71 g/mol
LogP1.22
Rot. Bonds1

About methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride

methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride (PubChem CID 154814550) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
PubChem CID154814550
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
SMILESCOC(=O)C1C[C@H]2CNC[C@@H](C1)C2.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-10(12)9-3-7-2-8(4-9)6-11-5-7;/h7-9,11H,2-6H2,1H3;1H/t7-,8+,9?;
InChIKeyIHEQJFFMBNDUSB-VMNZFRLGSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl 6-azabicyclo[3.2.1]octane-3-carboxylate
CID 44609133
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 71682974
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
CID 167994766
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131
1-(3-azabicyclo[3.3.1]nonan-7-yl)-2-methylpropan-1-one
CID 25098133
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
trans-methyl (3R,4R)-3,4-di(propan-2-yl)cyclopentane-1-carboxylate
CID 59408300
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride?
The IUPAC name of methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride (CID 154814550) is methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride?
The canonical SMILES for methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride is COC(=O)C1C[C@H]2CNC[C@@H](C1)C2.Cl.
What is the InChIKey of methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride?
The InChIKey is IHEQJFFMBNDUSB-VMNZFRLGSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-13-10(12)9-3-7-2-8(4-9)6-11-5-7;/h7-9,11H,2-6H2,1H3;1H/t7-,8+,9?;.
What are the key properties of methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride?
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride is sourced from PubChem (CID 154814550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).