(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid

C10H17NO2 — CID 129413165

IUPAC(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
SMILESO=C(O)[C@H]1CCN[C@@H]2CCCC[C@H]12
InChIInChI=1S/C10H17NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h7-9,11H,1-6H2,(H,12,13)/t7-,8+,9-/m1/s1
InChIKeyKOHCZICXYWAFTC-HRDYMLBCSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds1

About (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid

(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid (PubChem CID 129413165) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
PubChem CID129413165
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
SMILESO=C(O)[C@H]1CCN[C@@H]2CCCC[C@H]12
InChIInChI=1S/C10H17NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h7-9,11H,1-6H2,(H,12,13)/t7-,8+,9-/m1/s1
InChIKeyKOHCZICXYWAFTC-HRDYMLBCSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid with MolForge

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Related Compounds

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
CID 83915881
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
CID 129413164
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 83915202
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
[(4R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] acetate
CID 11879366
2-cyclopentylpiperidine-4-carboxylic acid
CID 82398754
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
CID 25067678
2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
CID 55253786

Frequently Asked Questions

What is the IUPAC name of (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid?
The IUPAC name of (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid (CID 129413165) is (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid.
What is the SMILES notation for (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid?
The canonical SMILES for (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid is O=C(O)[C@H]1CCN[C@@H]2CCCC[C@H]12.
What is the InChIKey of (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid?
The InChIKey is KOHCZICXYWAFTC-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h7-9,11H,1-6H2,(H,12,13)/t7-,8+,9-/m1/s1.
What are the key properties of (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid?
(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 129413165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).