1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

C10H14FNO3 — CID 118109399

IUPAC1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESCCC1C(F)CN2C(=O)CCC12C(=O)O
InChIInChI=1S/C10H14FNO3/c1-2-6-7(11)5-12-8(13)3-4-10(6,12)9(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyGJWCYMRJDKMJTE-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.81
Rot. Bonds2

About 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (PubChem CID 118109399) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
PubChem CID118109399
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESCCC1C(F)CN2C(=O)CCC12C(=O)O
InChIInChI=1S/C10H14FNO3/c1-2-6-7(11)5-12-8(13)3-4-10(6,12)9(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyGJWCYMRJDKMJTE-UHFFFAOYSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl tetrahydro-3-oxo-1H-pyrrolizine-7a(5H)-carboxylate
CID 14036625
Ethyl (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 118109264
(2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118109266
Ethyl 2-fluorotetrahydro-5-oxo-1H-pyrrolizine-7a(5H)-carboxylate
CID 118109396
Ethyl 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118109423
(2S,7AR)-Ethyl 2-fluoro-5-oxohexahydro-1H-pyrrolizine-7A-carboxylate
CID 118112290
(2S,8R)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118112291
Ethyl 6-fluoro-6-methyl-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 137419732
(2S,7aR)-2-Fluoro-5-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylic acid
CID 155211084
2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 156117224
Methyl 2-fluoro-5-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
CID 156117237
ethyl 5-oxo-2-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 156117277

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The IUPAC name of 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (CID 118109399) is 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The canonical SMILES for 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is CCC1C(F)CN2C(=O)CCC12C(=O)O.
What is the InChIKey of 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The InChIKey is GJWCYMRJDKMJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-2-6-7(11)5-12-8(13)3-4-10(6,12)9(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid has a molecular weight of 215.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is sourced from PubChem (CID 118109399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).