tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

C14H20N2O4 — CID 171808311

IUPACtert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
SMILESCC1c2c(O)cc(=O)n(C)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-8-12-9(15(5)11(18)6-10(12)17)7-16(8)13(19)20-14(2,3)4/h6,8,17H,7H2,1-5H3
InChIKeyXPXKTKUWYQEMED-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.90
Rot. Bonds

About tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate (PubChem CID 171808311) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
PubChem CID171808311
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
SMILESCC1c2c(O)cc(=O)n(C)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-8-12-9(15(5)11(18)6-10(12)17)7-16(8)13(19)20-14(2,3)4/h6,8,17H,7H2,1-5H3
InChIKeyXPXKTKUWYQEMED-UHFFFAOYSA-N
XLogP1.90
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 171808264
tert-butyl (5R)-3-chloro-1,4,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 171808359
tert-butyl 2,5-dimethyl-3-oxopiperidine-1-carboxylate
CID 155819641
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylate
CID 91666171
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
tert-butyl (2R)-2-hydroxy-5-oxo-2,6-dihydropyridine-1-carboxylate
CID 169211759
tert-butyl (6S)-5,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154953281
tert-butyl 4-bromo-1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 130430527
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl 6-(5-bromo-1-methylimidazol-2-yl)-1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 178142085
tert-butyl (1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 11435798
(4S)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 69109401

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate (CID 171808311) is tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate is CC1c2c(O)cc(=O)n(C)c2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is XPXKTKUWYQEMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8-12-9(15(5)11(18)6-10(12)17)7-16(8)13(19)20-14(2,3)4/h6,8,17H,7H2,1-5H3.
What are the key properties of tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 171808311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).