(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid

C12H12FNO3 — CID 82389062

IUPAC(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C1CC[C@H](C(=O)O)[C@@H](c2ccccc2F)N1
InChIInChI=1S/C12H12FNO3/c13-9-4-2-1-3-7(9)11-8(12(16)17)5-6-10(15)14-11/h1-4,8,11H,5-6H2,(H,14,15)(H,16,17)/t8-,11+/m0/s1
InChIKeyYXOJAXODAJXQQH-GZMMTYOYSA-N
MW237.23 g/mol
LogP1.48
Rot. Bonds2

About (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid

(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 82389062) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID82389062
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C1CC[C@H](C(=O)O)[C@@H](c2ccccc2F)N1
InChIInChI=1S/C12H12FNO3/c13-9-4-2-1-3-7(9)11-8(12(16)17)5-6-10(15)14-11/h1-4,8,11H,5-6H2,(H,14,15)(H,16,17)/t8-,11+/m0/s1
InChIKeyYXOJAXODAJXQQH-GZMMTYOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77185254
(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96607570
3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
CID 53441832
5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
CID 19709519
5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one
CID 145101919
5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
CID 83849942
2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
CID 105495827
5-(2-fluorophenyl)-1,1-dioxothiepane-4-carboxylic acid
CID 84813811
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
3-(2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 68970816
(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675442
4-(2-fluorophenyl)pyrrolidine-1,3-dicarboxylic acid
CID 166790516

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid (CID 82389062) is (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid is O=C1CC[C@H](C(=O)O)[C@@H](c2ccccc2F)N1.
What is the InChIKey of (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is YXOJAXODAJXQQH-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-4-2-1-3-7(9)11-8(12(16)17)5-6-10(15)14-11/h1-4,8,11H,5-6H2,(H,14,15)(H,16,17)/t8-,11+/m0/s1.
What are the key properties of (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid?
(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 82389062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).