2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride

C16H22ClNO2 — CID 70510965

IUPAC2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H21NO2.ClH/c18-16(19)10-13-8-14-6-7-15(9-13)17(14)11-12-4-2-1-3-5-12;/h1-5,13-15H,6-11H2,(H,18,19);1H
InChIKeyRQDQYDUBCWUSBE-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.33
Rot. Bonds4

About 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride

2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride (PubChem CID 70510965) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
PubChem CID70510965
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H21NO2.ClH/c18-16(19)10-13-8-14-6-7-15(9-13)17(14)11-12-4-2-1-3-5-12;/h1-5,13-15H,6-11H2,(H,18,19);1H
InChIKeyRQDQYDUBCWUSBE-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride with MolForge

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Related Compounds

2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606153
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
3-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)propanal
CID 83913183
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] carbonochloridate;hydrochloride
CID 14762758
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 115982219

Frequently Asked Questions

What is the IUPAC name of 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride (CID 70510965) is 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
The InChIKey is RQDQYDUBCWUSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c18-16(19)10-13-8-14-6-7-15(9-13)17(14)11-12-4-2-1-3-5-12;/h1-5,13-15H,6-11H2,(H,18,19);1H.
What are the key properties of 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride is sourced from PubChem (CID 70510965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).