1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid

C8H14N2O2 — CID 151428234

IUPAC1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid
SMILESNC12CCC(CC1)CN2C(=O)O
InChIInChI=1S/C8H14N2O2/c9-8-3-1-6(2-4-8)5-10(8)7(11)12/h6H,1-5,9H2,(H,11,12)
InChIKeyPBYWGJDNEYHUCE-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds

About 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid

1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid (PubChem CID 151428234) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid
PubChem CID151428234
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid
SMILESNC12CCC(CC1)CN2C(=O)O
InChIInChI=1S/C8H14N2O2/c9-8-3-1-6(2-4-8)5-10(8)7(11)12/h6H,1-5,9H2,(H,11,12)
InChIKeyPBYWGJDNEYHUCE-UHFFFAOYSA-N
XLogP0.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid?
The IUPAC name of 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid (CID 151428234) is 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid.
What is the SMILES notation for 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid?
The canonical SMILES for 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid is NC12CCC(CC1)CN2C(=O)O.
What is the InChIKey of 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid?
The InChIKey is PBYWGJDNEYHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8-3-1-6(2-4-8)5-10(8)7(11)12/h6H,1-5,9H2,(H,11,12).
What are the key properties of 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid?
1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid is sourced from PubChem (CID 151428234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).