2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid

C11H16N4O5 — CID 67913608

IUPAC2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid
SMILESCC1(C(N)=O)C2C(=O)NC(=O)CN2CCN1CC(=O)O
InChIInChI=1S/C11H16N4O5/c1-11(10(12)20)8-9(19)13-6(16)4-14(8)2-3-15(11)5-7(17)18/h8H,2-5H2,1H3,(H2,12,20)(H,17,18)(H,13,16,19)
InChIKeyIRZXGKNILWHTBN-UHFFFAOYSA-N
MW284.27 g/mol
LogP-3.04
Rot. Bonds3

About 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid

2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid (PubChem CID 67913608) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid
PubChem CID67913608
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid
SMILESCC1(C(N)=O)C2C(=O)NC(=O)CN2CCN1CC(=O)O
InChIInChI=1S/C11H16N4O5/c1-11(10(12)20)8-9(19)13-6(16)4-14(8)2-3-15(11)5-7(17)18/h8H,2-5H2,1H3,(H2,12,20)(H,17,18)(H,13,16,19)
InChIKeyIRZXGKNILWHTBN-UHFFFAOYSA-N
XLogP-3.04
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-3.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid?
The IUPAC name of 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid (CID 67913608) is 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid is CC1(C(N)=O)C2C(=O)NC(=O)CN2CCN1CC(=O)O.
What is the InChIKey of 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid?
The InChIKey is IRZXGKNILWHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-11(10(12)20)8-9(19)13-6(16)4-14(8)2-3-15(11)5-7(17)18/h8H,2-5H2,1H3,(H2,12,20)(H,17,18)(H,13,16,19).
What are the key properties of 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid?
2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid has a molecular weight of 284.27 g/mol, XLogP of -3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carbamoyl-1-methyl-7,9-dioxo-3,4,6,9a-tetrahydropyrazino[1,2-a]pyrazin-2-yl)acetic acid is sourced from PubChem (CID 67913608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).