methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate

C15H23N3O5 — CID 162960595

IUPACmethyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate
SMILESCOC(=O)CN1C(=O)C2CC(O)CN2C2(CN(C(C)C)C2)C1=O
InChIInChI=1S/C15H23N3O5/c1-9(2)16-7-15(8-16)14(22)17(6-12(20)23-3)13(21)11-4-10(19)5-18(11)15/h9-11,19H,4-8H2,1-3H3
InChIKeyFLSBJAMZYYWMDR-UHFFFAOYSA-N
MW325.37 g/mol
LogP-1.57
Rot. Bonds3

About methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate

methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate (PubChem CID 162960595) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate
PubChem CID162960595
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Namemethyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate
SMILESCOC(=O)CN1C(=O)C2CC(O)CN2C2(CN(C(C)C)C2)C1=O
InChIInChI=1S/C15H23N3O5/c1-9(2)16-7-15(8-16)14(22)17(6-12(20)23-3)13(21)11-4-10(19)5-18(11)15/h9-11,19H,4-8H2,1-3H3
InChIKeyFLSBJAMZYYWMDR-UHFFFAOYSA-N
XLogP-1.57
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate with MolForge

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Related Compounds

methyl 2-[7-hydroxy-1'-[(4-methoxyphenyl)methyl]-1,3-dioxospiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]acetate
CID 162911964
methyl 2-[(7R,8aS)-1'-(furan-3-ylmethyl)-7-hydroxy-1,3-dioxospiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]acetate
CID 100611557
2-[(2-fluorophenyl)methyl]-7-hydroxy-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 162943218
(7R,8aS)-2-[(2-chlorophenyl)methyl]-7-hydroxy-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100613682
methyl 2-[(7R,8aS)-1'-[(4-acetamidophenyl)methyl]-7-hydroxy-1,3-dioxospiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]acetate
CID 100611661
methyl 4-[[(7R,8aS)-7-hydroxy-1'-(2-methylpropyl)-1,3-dioxospiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]methyl]benzoate
CID 100615075
2-benzyl-7-hydroxy-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 163053648
(7R,8aS)-2-benzyl-7-hydroxy-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100611164
2-butyl-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 162792655
(7R,8aS)-1'-[(4-fluorophenyl)methyl]-7-hydroxy-2-[(4-methoxyphenyl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100610270
7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 162992234
(7R,8aS)-2-[(2-chlorophenyl)methyl]-7-hydroxy-1'-(3-methylbutyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100613483

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate?
The IUPAC name of methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate (CID 162960595) is methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate?
The canonical SMILES for methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate is COC(=O)CN1C(=O)C2CC(O)CN2C2(CN(C(C)C)C2)C1=O.
What is the InChIKey of methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate?
The InChIKey is FLSBJAMZYYWMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-9(2)16-7-15(8-16)14(22)17(6-12(20)23-3)13(21)11-4-10(19)5-18(11)15/h9-11,19H,4-8H2,1-3H3.
What are the key properties of methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate?
methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate has a molecular weight of 325.37 g/mol, XLogP of -1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate is sourced from PubChem (CID 162960595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).