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

C10H14FNO3 — CID 118109266

IUPAC(2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESCCC1[C@@H](F)CN2C(=O)CC[C@@]12C(=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)/t6?,7-,10-/m0/s1
InChIKeyGJWCYMRJDKMJTE-MXMVMAASSA-N
MW215.22 g/mol
LogP0.81
Rot. Bonds2

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

(2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (PubChem CID 118109266) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name(2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
PubChem CID118109266
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name(2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESCCC1[C@@H](F)CN2C(=O)CC[C@@]12C(=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)/t6?,7-,10-/m0/s1
InChIKeyGJWCYMRJDKMJTE-MXMVMAASSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The IUPAC name of (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (CID 118109266) is (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.
What is the SMILES notation for (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The canonical SMILES for (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is CCC1[C@@H](F)CN2C(=O)CC[C@@]12C(=O)O.
What is the InChIKey of (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The InChIKey is GJWCYMRJDKMJTE-MXMVMAASSA-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)/t6?,7-,10-/m0/s1.
What are the key properties of (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
(2R,8S)-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 (2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is sourced from PubChem (CID 118109266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).