(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid

C10H17NO2 — CID 7758382

IUPAC(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyZYQJGZAVMHNFNY-DTWKUNHWSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds1

About (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid

(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid (PubChem CID 7758382) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid.

Molecular Properties

Compound Name(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
PubChem CID7758382
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyZYQJGZAVMHNFNY-DTWKUNHWSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
2-(3-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821308
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63069445
2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
CID 63161343
2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
CID 55146891
pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474044
2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
CID 21276976
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 154478252
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171

Frequently Asked Questions

What is the IUPAC name of (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
The IUPAC name of (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid (CID 7758382) is (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid.
What is the SMILES notation for (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
The canonical SMILES for (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid is O=C(O)[C@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
The InChIKey is ZYQJGZAVMHNFNY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid is sourced from PubChem (CID 7758382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).