tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate

C18H33N3O5 — CID 123733622

IUPACtert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate
SMILESCCOC(=O)C(C)(C)CN1CC2CN(C(=O)OC(C)(C)C)CCN2C1O
InChIInChI=1S/C18H33N3O5/c1-7-25-14(22)18(5,6)12-20-11-13-10-19(8-9-21(13)15(20)23)16(24)26-17(2,3)4/h13,15,23H,7-12H2,1-6H3
InChIKeyAALCRAXMPWMUSH-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.09
Rot. Bonds4

About tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 123733622) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID123733622
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Nametert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate
SMILESCCOC(=O)C(C)(C)CN1CC2CN(C(=O)OC(C)(C)C)CCN2C1O
InChIInChI=1S/C18H33N3O5/c1-7-25-14(22)18(5,6)12-20-11-13-10-19(8-9-21(13)15(20)23)16(24)26-17(2,3)4/h13,15,23H,7-12H2,1-6H3
InChIKeyAALCRAXMPWMUSH-UHFFFAOYSA-N
XLogP1.09
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-imino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 154953875
tert-butyl (3aR,7aR)-2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-7a-fluoro-1-oxo-3a,4,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine-5-carboxylate
CID 167108356
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484
tert-butyl 4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909318
tert-butyl 4-cyclopropyl-3-ethynylpiperazine-1-carboxylate
CID 170903615
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
CID 156745703
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
CID 155344878
tert-butyl (9aR)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 155708042
tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
CID 86700515
1-O-tert-butyl 3-O-methyl (3R)-4-ethylpiperazine-1,3-dicarboxylate
CID 124705348

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate (CID 123733622) is tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate is CCOC(=O)C(C)(C)CN1CC2CN(C(=O)OC(C)(C)C)CCN2C1O.
What is the InChIKey of tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is AALCRAXMPWMUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-7-25-14(22)18(5,6)12-20-11-13-10-19(8-9-21(13)15(20)23)16(24)26-17(2,3)4/h13,15,23H,7-12H2,1-6H3.
What are the key properties of tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethoxy-2,2-dimethyl-3-oxopropyl)-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 123733622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).