[(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

C18H19NO6 — CID 9408568

IUPAC[(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
SMILESCC(C)C[C@@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19NO6/c1-10(2)9-13(17(22)25-14-7-8-24-18(14)23)19-15(20)11-5-3-4-6-12(11)16(19)21/h3-6,10,13-14H,7-9H2,1-2H3/t13-,14-/m0/s1
InChIKeyKMGKJRTZLWGLSM-KBPBESRZSA-N
MW345.35 g/mol
LogP1.56
Rot. Bonds5

About [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

[(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate (PubChem CID 9408568) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
PubChem CID9408568
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
SMILESCC(C)C[C@@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19NO6/c1-10(2)9-13(17(22)25-14-7-8-24-18(14)23)19-15(20)11-5-3-4-6-12(11)16(19)21/h3-6,10,13-14H,7-9H2,1-2H3/t13-,14-/m0/s1
InChIKeyKMGKJRTZLWGLSM-KBPBESRZSA-N
XLogP1.56
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-2-oxooxolan-3-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 2404854
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 42901838
(2-amino-2-oxoethyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7951869
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408526
(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 84831473
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4517473
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7784391
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408620
[(3S)-3-(1,3-dioxoisoindol-2-yl)-5-methyl-2-oxohexyl] acetate
CID 12031655
2-[1-(3,4-dihydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 72591163
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408413

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate (CID 9408568) is [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate is CC(C)C[C@@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The InChIKey is KMGKJRTZLWGLSM-KBPBESRZSA-N. The full InChI is InChI=1S/C18H19NO6/c1-10(2)9-13(17(22)25-14-7-8-24-18(14)23)19-15(20)11-5-3-4-6-12(11)16(19)21/h3-6,10,13-14H,7-9H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
[(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate has a molecular weight of 345.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate is sourced from PubChem (CID 9408568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).