ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate

C10H14FNO4 — CID 167250314

IUPACethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCC(=O)N1CC(O)(F)C2
InChIInChI=1S/C10H14FNO4/c1-2-16-8(14)9-4-3-7(13)12(9)6-10(11,15)5-9/h15H,2-6H2,1H3
InChIKeyQDZROAZBUIXQSP-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.03
Rot. Bonds2

About ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate

ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (PubChem CID 167250314) has the molecular formula C10H14FNO4 and a molecular weight of 231.22 g/mol. Its IUPAC name is ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
PubChem CID167250314
Molecular FormulaC10H14FNO4
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Nameethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCC(=O)N1CC(O)(F)C2
InChIInChI=1S/C10H14FNO4/c1-2-16-8(14)9-4-3-7(13)12(9)6-10(11,15)5-9/h15H,2-6H2,1H3
InChIKeyQDZROAZBUIXQSP-UHFFFAOYSA-N
XLogP-0.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (CID 167250314) is ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is CCOC(=O)C12CCC(=O)N1CC(O)(F)C2.
What is the InChIKey of ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The InChIKey is QDZROAZBUIXQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4/c1-2-16-8(14)9-4-3-7(13)12(9)6-10(11,15)5-9/h15H,2-6H2,1H3.
What are the key properties of ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate has a molecular weight of 231.22 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-6-hydroxy-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 167250314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).