methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate

C8H12N2O5 — CID 137382795

IUPACmethyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2COC(=O)N2CCN1O
InChIInChI=1S/C8H12N2O5/c1-14-7(11)6-5-4-15-8(12)9(5)2-3-10(6)13/h5-6,13H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyOYMARCLFQYFCLX-NTSWFWBYSA-N
MW216.19 g/mol
LogP-0.95
Rot. Bonds1

About methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate

methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate (PubChem CID 137382795) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate.

Molecular Properties

Compound Namemethyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
PubChem CID137382795
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2COC(=O)N2CCN1O
InChIInChI=1S/C8H12N2O5/c1-14-7(11)6-5-4-15-8(12)9(5)2-3-10(6)13/h5-6,13H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyOYMARCLFQYFCLX-NTSWFWBYSA-N
XLogP-0.95
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate with MolForge

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Related Compounds

Methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118353909
methyl (8S,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118353910
methyl (8R,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118359742
(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid
CID 137382794
methyl (8R,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 140912841

Frequently Asked Questions

What is the IUPAC name of methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
The IUPAC name of methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate (CID 137382795) is methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate.
What is the SMILES notation for methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
The canonical SMILES for methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate is COC(=O)[C@H]1[C@@H]2COC(=O)N2CCN1O.
What is the InChIKey of methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
The InChIKey is OYMARCLFQYFCLX-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-14-7(11)6-5-4-15-8(12)9(5)2-3-10(6)13/h5-6,13H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate has a molecular weight of 216.19 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate is sourced from PubChem (CID 137382795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).