methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate

C11H16N4O5 — CID 67913611

IUPACmethyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate
SMILESCOC(=O)CN1CCN2CC(=O)NC(=O)[C@H]2[C@@H]1C(N)=O
InChIInChI=1S/C11H16N4O5/c1-20-7(17)5-15-3-2-14-4-6(16)13-11(19)9(14)8(15)10(12)18/h8-9H,2-5H2,1H3,(H2,12,18)(H,13,16,19)/t8-,9-/m1/s1
InChIKeyJTULGOHTAWSEAS-RKDXNWHRSA-N
MW284.27 g/mol
LogP-3.34
Rot. Bonds3

About methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate

methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate (PubChem CID 67913611) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate
PubChem CID67913611
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Namemethyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate
SMILESCOC(=O)CN1CCN2CC(=O)NC(=O)[C@H]2[C@@H]1C(N)=O
InChIInChI=1S/C11H16N4O5/c1-20-7(17)5-15-3-2-14-4-6(16)13-11(19)9(14)8(15)10(12)18/h8-9H,2-5H2,1H3,(H2,12,18)(H,13,16,19)/t8-,9-/m1/s1
InChIKeyJTULGOHTAWSEAS-RKDXNWHRSA-N
XLogP-3.34
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-3.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate?
The IUPAC name of methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate (CID 67913611) is methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate is COC(=O)CN1CCN2CC(=O)NC(=O)[C@H]2[C@@H]1C(N)=O.
What is the InChIKey of methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate?
The InChIKey is JTULGOHTAWSEAS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-20-7(17)5-15-3-2-14-4-6(16)13-11(19)9(14)8(15)10(12)18/h8-9H,2-5H2,1H3,(H2,12,18)(H,13,16,19)/t8-,9-/m1/s1.
What are the key properties of methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate?
methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate has a molecular weight of 284.27 g/mol, XLogP of -3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,9aR)-1-carbamoyl-7,9-dioxo-3,4,6,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]acetate is sourced from PubChem (CID 67913611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).