(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

C8H12FNO3 — CID 170356923

IUPAC(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)[C@]12CC(O)CN1C[C@H](F)C2
InChIInChI=1S/C8H12FNO3/c9-5-1-8(7(12)13)2-6(11)4-10(8)3-5/h5-6,11H,1-4H2,(H,12,13)/t5-,6?,8+/m1/s1
InChIKeyJDIRKJJTDQRNMI-UHFKNVDDSA-N
MW189.19 g/mol
LogP-0.38
Rot. Bonds1

About (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (PubChem CID 170356923) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
PubChem CID170356923
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)[C@]12CC(O)CN1C[C@H](F)C2
InChIInChI=1S/C8H12FNO3/c9-5-1-8(7(12)13)2-6(11)4-10(8)3-5/h5-6,11H,1-4H2,(H,12,13)/t5-,6?,8+/m1/s1
InChIKeyJDIRKJJTDQRNMI-UHFKNVDDSA-N
XLogP-0.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R,8S)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170357066
(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170356971
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 170677374
(2R,8R)-2-fluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-carboxylic acid
CID 174165292
(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid
CID 154810488
2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 174057201
methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 166095803
methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174267731
1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one
CID 168880790
fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
CID 177213248
(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid
CID 93497127
(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
CID 171774635

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The IUPAC name of (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (CID 170356923) is (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is O=C(O)[C@]12CC(O)CN1C[C@H](F)C2.
What is the InChIKey of (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The InChIKey is JDIRKJJTDQRNMI-UHFKNVDDSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-5-1-8(7(12)13)2-6(11)4-10(8)3-5/h5-6,11H,1-4H2,(H,12,13)/t5-,6?,8+/m1/s1.
What are the key properties of (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid has a molecular weight of 189.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 170356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).