(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid

C17H23NO5 — CID 16765267

IUPAC(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
SMILESCCOc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCOC
InChIInChI=1S/C17H23NO5/c1-3-23-14-7-5-4-6-12(14)16-13(17(20)21)8-9-15(19)18(16)10-11-22-2/h4-7,13,16H,3,8-11H2,1-2H3,(H,20,21)/t13-,16+/m1/s1
InChIKeySVVAUUOKQKJTKK-CJNGLKHVSA-N
MW321.37 g/mol
LogP2.10
Rot. Bonds7

About (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid

(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 16765267) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID16765267
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
SMILESCCOc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCOC
InChIInChI=1S/C17H23NO5/c1-3-23-14-7-5-4-6-12(14)16-13(17(20)21)8-9-15(19)18(16)10-11-22-2/h4-7,13,16H,3,8-11H2,1-2H3,(H,20,21)/t13-,16+/m1/s1
InChIKeySVVAUUOKQKJTKK-CJNGLKHVSA-N
XLogP2.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid (CID 16765267) is (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid is CCOc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCOC.
What is the InChIKey of (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is SVVAUUOKQKJTKK-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H23NO5/c1-3-23-14-7-5-4-6-12(14)16-13(17(20)21)8-9-15(19)18(16)10-11-22-2/h4-7,13,16H,3,8-11H2,1-2H3,(H,20,21)/t13-,16+/m1/s1.
What are the key properties of (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid?
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 16765267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).