tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate

C19H25NO6 — CID 101373630

IUPACtert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCOCO[C@H](c1ccccc1)[C@@H]1C(=O)C=CC(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H25NO6/c1-19(2,3)26-18(23)20-15(22)11-10-14(21)16(20)17(25-12-24-4)13-8-6-5-7-9-13/h5-11,15-17,22H,12H2,1-4H3/t15?,16-,17+/m0/s1
InChIKeyGABQMUVHPITORW-LRUHZDSUSA-N
MW363.41 g/mol
LogP2.41
Rot. Bonds5

About tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate

tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate (PubChem CID 101373630) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate
PubChem CID101373630
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Nametert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCOCO[C@H](c1ccccc1)[C@@H]1C(=O)C=CC(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H25NO6/c1-19(2,3)26-18(23)20-15(22)11-10-14(21)16(20)17(25-12-24-4)13-8-6-5-7-9-13/h5-11,15-17,22H,12H2,1-4H3/t15?,16-,17+/m0/s1
InChIKeyGABQMUVHPITORW-LRUHZDSUSA-N
XLogP2.41
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
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CID 102439306
tert-butyl (2S,5R)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
CID 59614349
dimethyl 2-[(S)-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-2H-pyrrol-2-yl]-phenylmethyl]propanedioate
CID 102450873
tert-butyl (1S,5R)-3-(1-phenylethoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11278980
tert-butyl (1R,2R,4S,5S)-3-oxo-2,4-diphenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 10785704
1-O-tert-butyl 2-O,5-O-dimethyl (2R,3R,4R,5R)-3,4-bis(phenylmethoxy)pyrrolidine-1,2,5-tricarboxylate
CID 10907216
1-O-tert-butyl 2-O-methyl (2S,3S,4R,5R)-3,4-dihydroxy-5-phenylpyrrolidine-1,2-dicarboxylate
CID 56934741
tert-butyl (2R)-4,4-dimethyl-2-[(R)-phenyl(phenylmethoxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 100920373
tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 71188473
tert-butyl 3-(3-hydroxy-2-nitro-3-phenylpropyl)-7-(methoxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 69334475
tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate
CID 101046745

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate (CID 101373630) is tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate is COCO[C@H](c1ccccc1)[C@@H]1C(=O)C=CC(O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate?
The InChIKey is GABQMUVHPITORW-LRUHZDSUSA-N. The full InChI is InChI=1S/C19H25NO6/c1-19(2,3)26-18(23)20-15(22)11-10-14(21)16(20)17(25-12-24-4)13-8-6-5-7-9-13/h5-11,15-17,22H,12H2,1-4H3/t15?,16-,17+/m0/s1.
What are the key properties of tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate?
tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 101373630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).