methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate

C10H13NO3 — CID 141445420

IUPACmethyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate
SMILESCOC(=O)C1=C2C(O)CCN2CC=C1
InChIInChI=1S/C10H13NO3/c1-14-10(13)7-3-2-5-11-6-4-8(12)9(7)11/h2-3,8,12H,4-6H2,1H3
InChIKeyQRUZBAZHFLEZKO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.05
Rot. Bonds1

About methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate

methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate (PubChem CID 141445420) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate
PubChem CID141445420
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate
SMILESCOC(=O)C1=C2C(O)CCN2CC=C1
InChIInChI=1S/C10H13NO3/c1-14-10(13)7-3-2-5-11-6-4-8(12)9(7)11/h2-3,8,12H,4-6H2,1H3
InChIKeyQRUZBAZHFLEZKO-UHFFFAOYSA-N
XLogP0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate?
The IUPAC name of methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate (CID 141445420) is methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate?
The canonical SMILES for methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate is COC(=O)C1=C2C(O)CCN2CC=C1.
What is the InChIKey of methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate?
The InChIKey is QRUZBAZHFLEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-10(13)7-3-2-5-11-6-4-8(12)9(7)11/h2-3,8,12H,4-6H2,1H3.
What are the key properties of methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate?
methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-1,2,3,5-tetrahydroindolizine-8-carboxylate is sourced from PubChem (CID 141445420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).