[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C21H22N2O4 — CID 2632002

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCC3=O)c2C1
InChIInChI=1S/C21H22N2O4/c1-13-8-9-17-15(11-13)20(14-5-2-3-6-16(14)22-17)21(26)27-12-19(25)23-10-4-7-18(23)24/h2-3,5-6,13H,4,7-12H2,1H3/t13-/m0/s1
InChIKeyZPPJKSMVTZFQFC-ZDUSSCGKSA-N
MW366.42 g/mol
LogP2.67
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2632002) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2632002
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCC3=O)c2C1
InChIInChI=1S/C21H22N2O4/c1-13-8-9-17-15(11-13)20(14-5-2-3-6-16(14)22-17)21(26)27-12-19(25)23-10-4-7-18(23)24/h2-3,5-6,13H,4,7-12H2,1H3/t13-/m0/s1
InChIKeyZPPJKSMVTZFQFC-ZDUSSCGKSA-N
XLogP2.67
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599521
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46668677
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[(4-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 4298531
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-(N-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2434648
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840055
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8750360

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2632002) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCC3=O)c2C1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is ZPPJKSMVTZFQFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-8-9-17-15(11-13)20(14-5-2-3-6-16(14)22-17)21(26)27-12-19(25)23-10-4-7-18(23)24/h2-3,5-6,13H,4,7-12H2,1H3/t13-/m0/s1.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2632002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).