4-azabicyclo[5.1.0]octane-8-carboxylic acid

C8H13NO2 — CID 82416387

IUPAC4-azabicyclo[5.1.0]octane-8-carboxylic acid
SMILESO=C(O)C1C2CCNCCC21
InChIInChI=1S/C8H13NO2/c10-8(11)7-5-1-3-9-4-2-6(5)7/h5-7,9H,1-4H2,(H,10,11)
InChIKeyZSWXRKLJXQWMII-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds1

About 4-azabicyclo[5.1.0]octane-8-carboxylic acid

4-azabicyclo[5.1.0]octane-8-carboxylic acid (PubChem CID 82416387) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-azabicyclo[5.1.0]octane-8-carboxylic acid.

Molecular Properties

Compound Name4-azabicyclo[5.1.0]octane-8-carboxylic acid
PubChem CID82416387
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-azabicyclo[5.1.0]octane-8-carboxylic acid
SMILESO=C(O)C1C2CCNCCC21
InChIInChI=1S/C8H13NO2/c10-8(11)7-5-1-3-9-4-2-6(5)7/h5-7,9H,1-4H2,(H,10,11)
InChIKeyZSWXRKLJXQWMII-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2S,5S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 98557571
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
CID 131113488
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518
(1R,4R,5R,6R,9E,13S,14S)-tricyclo[11.1.0.04,6]tetradec-9-ene-5,14-dicarboxylic acid
CID 51412344
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
CID 5337761
(4S)-azepane-4-carboxylic acid
CID 59261053
(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
CID 178194493
(1S,4R,6R,9S)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid
CID 51665068
(1R,4R,6S,9S)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid
CID 99950433
N-piperidin-4-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-azabicyclo[5.1.0]octane-8-carboxylic acid?
The IUPAC name of 4-azabicyclo[5.1.0]octane-8-carboxylic acid (CID 82416387) is 4-azabicyclo[5.1.0]octane-8-carboxylic acid.
What is the SMILES notation for 4-azabicyclo[5.1.0]octane-8-carboxylic acid?
The canonical SMILES for 4-azabicyclo[5.1.0]octane-8-carboxylic acid is O=C(O)C1C2CCNCCC21.
What is the InChIKey of 4-azabicyclo[5.1.0]octane-8-carboxylic acid?
The InChIKey is ZSWXRKLJXQWMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)7-5-1-3-9-4-2-6(5)7/h5-7,9H,1-4H2,(H,10,11).
What are the key properties of 4-azabicyclo[5.1.0]octane-8-carboxylic acid?
4-azabicyclo[5.1.0]octane-8-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azabicyclo[5.1.0]octane-8-carboxylic acid is sourced from PubChem (CID 82416387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).