methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate

C10H17NO3 — CID 85320895

IUPACmethyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
SMILESCOC(=O)C1C(O)CCN2CCCC12
InChIInChI=1S/C10H17NO3/c1-14-10(13)9-7-3-2-5-11(7)6-4-8(9)12/h7-9,12H,2-6H2,1H3
InChIKeyTZPVVPMQQCEVRQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.00
Rot. Bonds1

About methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate

methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate (PubChem CID 85320895) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
PubChem CID85320895
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
SMILESCOC(=O)C1C(O)CCN2CCCC12
InChIInChI=1S/C10H17NO3/c1-14-10(13)9-7-3-2-5-11(7)6-4-8(9)12/h7-9,12H,2-6H2,1H3
InChIKeyTZPVVPMQQCEVRQ-UHFFFAOYSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate 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

(-)-Ecgonine methyl ester
CID 104904
8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1R,2R,3S,5S)-
CID 443844
Ecgonine
CID 91460
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, hydrochloride (1:1), (1R,2R,3S,5S)-
CID 45157630
Methyl 3-hydroxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
CID 251884
(2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 443003
Pseudoecgonine
CID 443845
3-Hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
CID 11972343
methyl (1R,2S,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 14151193
Ecgonine methyl ester hydrochloride
CID 162352
(1R,2S,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 12305922
3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 251910

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate?
The IUPAC name of methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate (CID 85320895) is methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate?
The canonical SMILES for methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate is COC(=O)C1C(O)CCN2CCCC12.
What is the InChIKey of methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate?
The InChIKey is TZPVVPMQQCEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-10(13)9-7-3-2-5-11(7)6-4-8(9)12/h7-9,12H,2-6H2,1H3.
What are the key properties of methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate?
methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate is sourced from PubChem (CID 85320895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).