3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C8H14N2O2 — CID 105434464

IUPAC3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid
SMILESNC1CC2CCC(N2)C1C(=O)O
InChIInChI=1S/C8H14N2O2/c9-5-3-4-1-2-6(10-4)7(5)8(11)12/h4-7,10H,1-3,9H2,(H,11,12)
InChIKeyOTWUTFBMGHCXEF-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.46
Rot. Bonds1

About 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid

3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid (PubChem CID 105434464) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid
PubChem CID105434464
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid
SMILESNC1CC2CCC(N2)C1C(=O)O
InChIInChI=1S/C8H14N2O2/c9-5-3-4-1-2-6(10-4)7(5)8(11)12/h4-7,10H,1-3,9H2,(H,11,12)
InChIKeyOTWUTFBMGHCXEF-UHFFFAOYSA-N
XLogP-0.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-azabicyclo[2.2.1]heptan-2-amine
CID 18534976
(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
CID 133268759
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031370
7-azabicyclo[2.2.1]heptan-2-ol
CID 18009146
(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol
CID 10261070
(1S,6R,7S)-9-azabicyclo[4.2.1]nonane-7-carboxylic acid
CID 101178675
(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 118998031
(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 133268513
methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 123144510
[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid
CID 175542912
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
The IUPAC name of 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid (CID 105434464) is 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid.
What is the SMILES notation for 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
The canonical SMILES for 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid is NC1CC2CCC(N2)C1C(=O)O.
What is the InChIKey of 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
The InChIKey is OTWUTFBMGHCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-5-3-4-1-2-6(10-4)7(5)8(11)12/h4-7,10H,1-3,9H2,(H,11,12).
What are the key properties of 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid is sourced from PubChem (CID 105434464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).