2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

C18H18N2O4 — CID 175146284

IUPAC2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1C(=O)NCC1CCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C18H18N2O4/c21-17-16(18(22)23)13(11-20-17)8-7-12-4-3-5-14(10-12)24-15-6-1-2-9-19-15/h1-6,9-10,13,16H,7-8,11H2,(H,20,21)(H,22,23)
InChIKeyPNCGXWXJZIHPTK-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.25
Rot. Bonds6

About 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 175146284) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID175146284
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1C(=O)NCC1CCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C18H18N2O4/c21-17-16(18(22)23)13(11-20-17)8-7-12-4-3-5-14(10-12)24-15-6-1-2-9-19-15/h1-6,9-10,13,16H,7-8,11H2,(H,20,21)(H,22,23)
InChIKeyPNCGXWXJZIHPTK-UHFFFAOYSA-N
XLogP2.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
molecular hydrogen;2-[2-(3-pyridin-2-yloxyphenyl)ethylamino]ethanol
CID 171653208
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
4-[3-(3-pyridin-2-yloxyphenyl)propyl]morpholine
CID 170869968
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
(3R,6R)-6-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-3-(2-methylpropyl)-4-[(3-pyridin-2-yloxyphenyl)methyl]piperazin-2-one
CID 143250073
5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 167948941

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 175146284) is 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is O=C(O)C1C(=O)NCC1CCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PNCGXWXJZIHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17-16(18(22)23)13(11-20-17)8-7-12-4-3-5-14(10-12)24-15-6-1-2-9-19-15/h1-6,9-10,13,16H,7-8,11H2,(H,20,21)(H,22,23).
What are the key properties of 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-[2-(3-pyridin-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 175146284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).