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

C10H17NO3 — CID 105452126

IUPACmethyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate
SMILESCOC(=O)C1CCN2CCCC2C1O
InChIInChI=1S/C10H17NO3/c1-14-10(13)7-4-6-11-5-2-3-8(11)9(7)12/h7-9,12H,2-6H2,1H3
InChIKeyCQAXAMKIFYLKKF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.00
Rot. Bonds1

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

methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate (PubChem CID 105452126) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate
PubChem CID105452126
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate
SMILESCOC(=O)C1CCN2CCCC2C1O
InChIInChI=1S/C10H17NO3/c1-14-10(13)7-4-6-11-5-2-3-8(11)9(7)12/h7-9,12H,2-6H2,1H3
InChIKeyCQAXAMKIFYLKKF-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 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate with MolForge

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Related Compounds

tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
CID 10911685
ethyl 2,2-difluoro-2-(1-hydroxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)acetate
CID 81886274
2-fluoro-2-(1-hydroxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)acetic acid
CID 81886483
ethyl 2-fluoro-2-(1-hydroxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)acetate
CID 81886530
Methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
CID 85320895
3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid
CID 59974251
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid
CID 68242498
methyl (2S,8aS)-5,7-dihydroxy-2-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylate
CID 69718775
(2R,3R)-3-hydroxy-2-methyl-3-[(1S,3S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]propanoic acid
CID 130377168
3-hydroxy-2-methyl-3-[(1S,3S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]propanoic acid
CID 137369904
(2R,3R)-3-hydroxy-2-methyl-3-[(1S,3S,5R,6S)-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]propanoic acid
CID 137517563
5-Hydroxy-2-[11-hydroxy-5-(6-hydroxyhexyl)undecyl]-1-methylpiperidine-4-carboxylic acid
CID 146479030

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate?
The IUPAC name of methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate (CID 105452126) is methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate?
The canonical SMILES for methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate is COC(=O)C1CCN2CCCC2C1O.
What is the InChIKey of methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate?
The InChIKey is CQAXAMKIFYLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-10(13)7-4-6-11-5-2-3-8(11)9(7)12/h7-9,12H,2-6H2,1H3.
What are the key properties of methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate?
methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-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 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate is sourced from PubChem (CID 105452126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).