8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid

C14H18N2O2 — CID 69225043

IUPAC8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(18)15-9-12-6-7-13(10-15)16(12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)
InChIKeyHLUIJUJENUFUKB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds2

About 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid

8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 69225043) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID69225043
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(18)15-9-12-6-7-13(10-15)16(12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)
InChIKeyHLUIJUJENUFUKB-UHFFFAOYSA-N
XLogP2.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-benzyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-chloroethanone
CID 59813959
1-(9-benzyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 22057902
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
(1R,6R)-9-benzyl-3-(cyclopropanecarbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 98078393
9-benzyl-3-(cyclopropanecarbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 110226128
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] carbonochloridate;hydrochloride
CID 14762758
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (CID 69225043) is 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)N1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is HLUIJUJENUFUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)15-9-12-6-7-13(10-15)16(12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18).
What are the key properties of 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 69225043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).