3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C9H16N2O2 — CID 22135668

IUPAC3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESNCC1CC2CCC(C1)N2C(=O)O
InChIInChI=1S/C9H16N2O2/c10-5-6-3-7-1-2-8(4-6)11(7)9(12)13/h6-8H,1-5,10H2,(H,12,13)
InChIKeyZUIJWVBLNUYNLO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.87
Rot. Bonds1

About 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 22135668) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID22135668
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESNCC1CC2CCC(C1)N2C(=O)O
InChIInChI=1S/C9H16N2O2/c10-5-6-3-7-1-2-8(4-6)11(7)9(12)13/h6-8H,1-5,10H2,(H,12,13)
InChIKeyZUIJWVBLNUYNLO-UHFFFAOYSA-N
XLogP0.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid with MolForge

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Related Compounds

rac-tert-butyl (1R,3S,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 50999075
Tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 115043875
Tert-butyl 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate acetate
CID 126796979
Tert-butyl 3-(2-aminopropyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 137698676
1-(1-Fluorobutyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 69400731
(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 118294875
(2S,4S)-4-fluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 118295225
(1S,2R,3R,5R)-3-amino-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155047194
(1R,2R,3R,5R)-3-amino-2-fluoro-1-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 175368033
4-(2-Aminoethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 17959827
8-Azabicyclo[3.2.1]octan-3-ylmethylcarbamic acid
CID 17966355
2,2,4,6,6-Pentamethylpiperidine;pyrrolidine-1-carboxylic acid
CID 21292205

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 22135668) is 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid is NCC1CC2CCC(C1)N2C(=O)O.
What is the InChIKey of 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is ZUIJWVBLNUYNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-5-6-3-7-1-2-8(4-6)11(7)9(12)13/h6-8H,1-5,10H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 22135668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).