2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid

C11H19NO2 — CID 131186064

IUPAC2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C11H19NO2/c13-11(14)8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8H2,(H,13,14)/t9-,10+/m0/s1
InChIKeyQKUGNFLRMMEJHM-VHSXEESVSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds2

About 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid

2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid (PubChem CID 131186064) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
PubChem CID131186064
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C11H19NO2/c13-11(14)8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8H2,(H,13,14)/t9-,10+/m0/s1
InChIKeyQKUGNFLRMMEJHM-VHSXEESVSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]acetamide
CID 53304819
1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide
CID 71277092
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
1-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]pyrrolidine-2,5-dione
CID 91752858
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
1-(1-benzylpyrrolidin-2-yl)-2-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]ethanone
CID 158479239
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 3074823
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl prop-2-enoate
CID 3517032

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid?
The IUPAC name of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid (CID 131186064) is 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid?
The canonical SMILES for 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid is O=C(O)C[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid?
The InChIKey is QKUGNFLRMMEJHM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8H2,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid?
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid is sourced from PubChem (CID 131186064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).