2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid

C10H17NO2 — CID 82655138

IUPAC2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid
SMILESO=C(O)C12CCCCC1NCCC2
InChIInChI=1S/C10H17NO2/c12-9(13)10-5-2-1-4-8(10)11-7-3-6-10/h8,11H,1-7H2,(H,12,13)
InChIKeyCXELCNCRJSTZGP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds1

About 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid

2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid (PubChem CID 82655138) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid.

Molecular Properties

Compound Name2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid
PubChem CID82655138
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid
SMILESO=C(O)C12CCCCC1NCCC2
InChIInChI=1S/C10H17NO2/c12-9(13)10-5-2-1-4-8(10)11-7-3-6-10/h8,11H,1-7H2,(H,12,13)
InChIKeyCXELCNCRJSTZGP-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Methyl decahydroquinoline-3-carboxylate
CID 83915860
Decahydroquinoline-3-carboxylic acid hydrochloride
CID 134690723
rac-ethyl (4aR,8aR)-decahydroquinoline-4a-carboxylate
CID 137944979
rac-methyl(3R,4aS,8aR)-decahydroquinoline-3-carboxylatehydrochloride
CID 146155167
(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-4-carboxylic acid
CID 20597811
2-Azabicyclo[2.2.2]octane-4-carboxylic acid
CID 68851813
3-Cyclohexyl-4-(trifluoromethyl)piperidine-3-carboxylic acid
CID 162547460
(Decahydroisoquinolin-3-yl)acetic acid
CID 586767
a-Cyclohexyl-a-(2-piperidyl)acetic acid
CID 129780554
6,6-Difluorooctahydroisoquinoline-8A(1H)-carboxylic acid hydrochloride
CID 177699692
6,6-Difluoro-1,2,3,4,4a,5,7,8-octahydroisoquinoline-8a-carboxylic acid
CID 177699693
3-(2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-8-yl)propanoic acid
CID 13537657

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid?
The IUPAC name of 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid (CID 82655138) is 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid.
What is the SMILES notation for 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid?
The canonical SMILES for 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid is O=C(O)C12CCCCC1NCCC2.
What is the InChIKey of 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid?
The InChIKey is CXELCNCRJSTZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(13)10-5-2-1-4-8(10)11-7-3-6-10/h8,11H,1-7H2,(H,12,13).
What are the key properties of 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid?
2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid is sourced from PubChem (CID 82655138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).