ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate

C11H15NO3 — CID 10081816

IUPACethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate
SMILESCCOC(=O)CC1=CC(=O)N2CCC[C@@H]12
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)7-8-6-10(13)12-5-3-4-9(8)12/h6,9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyOUTFDBLJVUBQEG-VIFPVBQESA-N
MW209.24 g/mol
LogP0.87
Rot. Bonds3

About ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate

ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate (PubChem CID 10081816) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate
PubChem CID10081816
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate
SMILESCCOC(=O)CC1=CC(=O)N2CCC[C@@H]12
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)7-8-6-10(13)12-5-3-4-9(8)12/h6,9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyOUTFDBLJVUBQEG-VIFPVBQESA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(2S)-5-oxo-1-pent-4-enylpyrrolidin-2-yl]but-3-enoate
CID 16680382
ethyl 2-[(9aS)-3-oxo-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]acetate
CID 16680383
ethyl 4-[(6Z,9Z,10aS)-5-oxo-2,3,8,10a-tetrahydro-1H-pyrrolo[1,2-a]azocin-7-yl]butanoate
CID 135055364
tert-butyl 2-[(E)-5-ethoxy-5-oxopent-2-en-3-yl]pyrrolidine-1-carboxylate
CID 100965942
tert-butyl 2-[(E)-1-ethoxy-5-methyl-1-oxohex-3-en-3-yl]pyrrolidine-1-carboxylate
CID 11067345
[(8S)-5-oxo-3,6,7,8-tetrahydropyrrolizin-1-yl]methyl acetate
CID 11298508
methyl 4-[(6Z,9Z,10aS)-5-oxo-2,3,8,10a-tetrahydro-1H-pyrrolo[1,2-a]azocin-7-yl]butanoate
CID 44475802
methyl 5-[(8aS)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-7-yl]pentanoate
CID 101412078
ethyl 2-[(9aS)-3-oxo-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]propanoate
CID 101582778
tert-butyl 2-[(Z)-1-ethoxy-5-methyl-1-oxohex-3-en-3-yl]pyrrolidine-1-carboxylate
CID 177540834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate?
The IUPAC name of ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate (CID 10081816) is ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate is CCOC(=O)CC1=CC(=O)N2CCC[C@@H]12.
What is the InChIKey of ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate?
The InChIKey is OUTFDBLJVUBQEG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)7-8-6-10(13)12-5-3-4-9(8)12/h6,9H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate?
ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate has a molecular weight of 209.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8S)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl]acetate is sourced from PubChem (CID 10081816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).