[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C19H19NO4 — CID 2380223

IUPAC[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H]3CCOC3=O)c2C1
InChIInChI=1S/C19H19NO4/c1-11-6-7-15-13(10-11)17(12-4-2-3-5-14(12)20-15)19(22)24-16-8-9-23-18(16)21/h2-5,11,16H,6-10H2,1H3/t11-,16+/m1/s1
InChIKeyQYFQXTIHTQDAFD-BZNIZROVSA-N
MW325.36 g/mol
LogP2.83
Rot. Bonds2

About [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2380223) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2380223
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H]3CCOC3=O)c2C1
InChIInChI=1S/C19H19NO4/c1-11-6-7-15-13(10-11)17(12-4-2-3-5-14(12)20-15)19(22)24-16-8-9-23-18(16)21/h2-5,11,16H,6-10H2,1H3/t11-,16+/m1/s1
InChIKeyQYFQXTIHTQDAFD-BZNIZROVSA-N
XLogP2.83
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

(2-oxooxolan-3-yl) 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3610287
[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2600020
(2-oxooxolan-3-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 18777063
[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7278772
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
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
[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
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2469012
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2380223) is [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is C[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H]3CCOC3=O)c2C1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is QYFQXTIHTQDAFD-BZNIZROVSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-6-7-15-13(10-11)17(12-4-2-3-5-14(12)20-15)19(22)24-16-8-9-23-18(16)21/h2-5,11,16H,6-10H2,1H3/t11-,16+/m1/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2380223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).