methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate

C16H21NO5 — CID 134848004

IUPACmethyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate
SMILESCCC1(CCC(=O)OC)C[C@@H](C(=O)OC)C(=O)n2cccc21
InChIInChI=1S/C16H21NO5/c1-4-16(8-7-13(18)21-2)10-11(15(20)22-3)14(19)17-9-5-6-12(16)17/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-,16?/m1/s1
InChIKeyZEPSHWZDKKICMU-ZVDHGWRTSA-N
MW307.35 g/mol
LogP1.92
Rot. Bonds5

About methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate

methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate (PubChem CID 134848004) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate
PubChem CID134848004
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate
SMILESCCC1(CCC(=O)OC)C[C@@H](C(=O)OC)C(=O)n2cccc21
InChIInChI=1S/C16H21NO5/c1-4-16(8-7-13(18)21-2)10-11(15(20)22-3)14(19)17-9-5-6-12(16)17/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-,16?/m1/s1
InChIKeyZEPSHWZDKKICMU-ZVDHGWRTSA-N
XLogP1.92
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate?
The IUPAC name of methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate (CID 134848004) is methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate.
What is the SMILES notation for methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate?
The canonical SMILES for methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate is CCC1(CCC(=O)OC)C[C@@H](C(=O)OC)C(=O)n2cccc21.
What is the InChIKey of methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate?
The InChIKey is ZEPSHWZDKKICMU-ZVDHGWRTSA-N. The full InChI is InChI=1S/C16H21NO5/c1-4-16(8-7-13(18)21-2)10-11(15(20)22-3)14(19)17-9-5-6-12(16)17/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-,16?/m1/s1.
What are the key properties of methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate?
methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-8-ethyl-8-(3-methoxy-3-oxopropyl)-5-oxo-6,7-dihydroindolizine-6-carboxylate is sourced from PubChem (CID 134848004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).