ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C11H13NO4 — CID 118106257

IUPACethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2cc(O)cc(=O)n21
InChIInChI=1S/C11H13NO4/c1-2-16-11(15)9-4-3-7-5-8(13)6-10(14)12(7)9/h5-6,9,13H,2-4H2,1H3/t9-/m0/s1
InChIKeySMFGCRCXOJAUTP-VIFPVBQESA-N
MW223.23 g/mol
LogP0.60
Rot. Bonds2

About ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 118106257) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID118106257
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2cc(O)cc(=O)n21
InChIInChI=1S/C11H13NO4/c1-2-16-11(15)9-4-3-7-5-8(13)6-10(14)12(7)9/h5-6,9,13H,2-4H2,1H3/t9-/m0/s1
InChIKeySMFGCRCXOJAUTP-VIFPVBQESA-N
XLogP0.60
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 118106257) is ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CCOC(=O)[C@@H]1CCc2cc(O)cc(=O)n21.
What is the InChIKey of ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is SMFGCRCXOJAUTP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-16-11(15)9-4-3-7-5-8(13)6-10(14)12(7)9/h5-6,9,13H,2-4H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 118106257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).