ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate

C19H19N3O6 — CID 10738848

IUPACethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate
SMILESCCOC(=O)n1cnc([C@H]2C[C@H](O)[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c1
InChIInChI=1S/C19H19N3O6/c1-2-27-19(26)21-8-13(20-10-21)15-7-14(23)16(28-15)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-6,8,10,14-16,23H,2,7,9H2,1H3/t14-,15+,16+/m0/s1
InChIKeyRGEKAUMNCXLYKT-ARFHVFGLSA-N
MW385.38 g/mol
LogP1.37
Rot. Bonds4

About ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate

ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate (PubChem CID 10738848) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate
PubChem CID10738848
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Nameethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate
SMILESCCOC(=O)n1cnc([C@H]2C[C@H](O)[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c1
InChIInChI=1S/C19H19N3O6/c1-2-27-19(26)21-8-13(20-10-21)15-7-14(23)16(28-15)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-6,8,10,14-16,23H,2,7,9H2,1H3/t14-,15+,16+/m0/s1
InChIKeyRGEKAUMNCXLYKT-ARFHVFGLSA-N
XLogP1.37
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate with MolForge

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Related Compounds

CID 135010027
CID 135010027
[(2R,3S,4S,5R)-4,5,6-triacetyloxy-2-[(1,3-dioxoisoindol-2-yl)methyl]oxan-3-yl] acetate
CID 54408560
ethyl N-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamate
CID 594911
ethyl (2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate
CID 830896
diethyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]propanedioate
CID 594859
cis-methyl (1S,2S)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
CID 1239910
2-[[(3aR,4R,6R,6aR)-2,2-diethyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]isoindole-1,3-dione
CID 72700807
2-[(2S,3R,5R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetic acid
CID 101219328
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-ethoxycarbonyl-2-methylbutanoic acid
CID 71517830
ethyl (E)-2-carbonochloridoyl-2-(difluoromethyl)-5-(1,3-dioxoisoindol-2-yl)pent-3-enoate
CID 88700859
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
2-[[(2R,3R,14S,15R)-3,14,15-tris[(1,3-dioxoisoindol-2-yl)methyl]-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl]methyl]isoindole-1,3-dione
CID 99693408

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate?
The IUPAC name of ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate (CID 10738848) is ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate is CCOC(=O)n1cnc([C@H]2C[C@H](O)[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c1.
What is the InChIKey of ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate?
The InChIKey is RGEKAUMNCXLYKT-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-2-27-19(26)21-8-13(20-10-21)15-7-14(23)16(28-15)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-6,8,10,14-16,23H,2,7,9H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate?
ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate has a molecular weight of 385.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyoxolan-2-yl]imidazole-1-carboxylate is sourced from PubChem (CID 10738848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).