2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid

C16H24N4O7 — CID 129280806

IUPAC2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN2C(=O)N(C3CN(C(=O)O)CCO3)C(=O)C2C1
InChIInChI=1S/C16H24N4O7/c1-16(2,3)27-15(25)18-4-5-19-10(8-18)12(21)20(13(19)22)11-9-17(14(23)24)6-7-26-11/h10-11H,4-9H2,1-3H3,(H,23,24)
InChIKeyGOJSZUJYBFPSNE-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.21
Rot. Bonds1

About 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid

2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid (PubChem CID 129280806) has the molecular formula C16H24N4O7 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid
PubChem CID129280806
Molecular FormulaC16H24N4O7
Molecular Weight384.39 g/mol
Exact Mass384.16
IUPAC Name2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN2C(=O)N(C3CN(C(=O)O)CCO3)C(=O)C2C1
InChIInChI=1S/C16H24N4O7/c1-16(2,3)27-15(25)18-4-5-19-10(8-18)12(21)20(13(19)22)11-9-17(14(23)24)6-7-26-11/h10-11H,4-9H2,1-3H3,(H,23,24)
InChIKeyGOJSZUJYBFPSNE-UHFFFAOYSA-N
XLogP0.21
TPSA119.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid (CID 129280806) is 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCN2C(=O)N(C3CN(C(=O)O)CCO3)C(=O)C2C1.
What is the InChIKey of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid?
The InChIKey is GOJSZUJYBFPSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O7/c1-16(2,3)27-15(25)18-4-5-19-10(8-18)12(21)20(13(19)22)11-9-17(14(23)24)6-7-26-11/h10-11H,4-9H2,1-3H3,(H,23,24).
What are the key properties of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid?
2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid is sourced from PubChem (CID 129280806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).