methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C14H17NO6 — CID 11000918

IUPACmethyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)CCc1cc(O)c2n(c1=O)[C@H](C(=O)OC)CC2
InChIInChI=1S/C14H17NO6/c1-20-12(17)6-3-8-7-11(16)9-4-5-10(14(19)21-2)15(9)13(8)18/h7,10,16H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyASLJMKUTEIEUAR-JTQLQIEISA-N
MW295.29 g/mol
LogP0.32
Rot. Bonds4

About methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 11000918) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID11000918
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Namemethyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)CCc1cc(O)c2n(c1=O)[C@H](C(=O)OC)CC2
InChIInChI=1S/C14H17NO6/c1-20-12(17)6-3-8-7-11(16)9-4-5-10(14(19)21-2)15(9)13(8)18/h7,10,16H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyASLJMKUTEIEUAR-JTQLQIEISA-N
XLogP0.32
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-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

A 58365A
CID 137365
(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 11119038
fluoro 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 155238332
methyl 8-acetyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 15119899
(3R)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 101945059
methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975102
methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975114
7-Hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 89650887
Ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate
CID 89651352
(3S)-7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 118106089
Ethyl (S)-7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate
CID 118106257
3-ethyl 8-methyl(3S)-7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3,8-dicarboxylate
CID 118122220

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 11000918) is methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is COC(=O)CCc1cc(O)c2n(c1=O)[C@H](C(=O)OC)CC2.
What is the InChIKey of methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is ASLJMKUTEIEUAR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17NO6/c1-20-12(17)6-3-8-7-11(16)9-4-5-10(14(19)21-2)15(9)13(8)18/h7,10,16H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 295.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 11000918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).