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

C22H25NO4 — CID 2600020

IUPAC[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H]3CCOC3=O)c2C1
InChIInChI=1S/C22H25NO4/c1-22(2,3)13-8-9-17-15(12-13)19(14-6-4-5-7-16(14)23-17)21(25)27-18-10-11-26-20(18)24/h4-7,13,18H,8-12H2,1-3H3/t13-,18+/m0/s1
InChIKeyKXXJXGISPJIWPW-SCLBCKFNSA-N
MW367.45 g/mol
LogP3.86
Rot. Bonds2

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

[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2600020) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2600020
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H]3CCOC3=O)c2C1
InChIInChI=1S/C22H25NO4/c1-22(2,3)13-8-9-17-15(12-13)19(14-6-4-5-7-16(14)23-17)21(25)27-18-10-11-26-20(18)24/h4-7,13,18H,8-12H2,1-3H3/t13-,18+/m0/s1
InChIKeyKXXJXGISPJIWPW-SCLBCKFNSA-N
XLogP3.86
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-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
[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380223
(2-oxooxolan-3-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 18777063
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8750360
2-(4-methoxyphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3658736
(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2585280
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7872571
2-(4-methylphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3272240
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840037
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7278772
[2-(azepan-1-yl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840040

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2600020) is [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H]3CCOC3=O)c2C1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is KXXJXGISPJIWPW-SCLBCKFNSA-N. The full InChI is InChI=1S/C22H25NO4/c1-22(2,3)13-8-9-17-15(12-13)19(14-6-4-5-7-16(14)23-17)21(25)27-18-10-11-26-20(18)24/h4-7,13,18H,8-12H2,1-3H3/t13-,18+/m0/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2600020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).