2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid

C8H11N3O5 — CID 66062995

IUPAC2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H11N3O5/c1-10(4-7(14)15)8(16)11-2-5(12)9-6(13)3-11/h2-4H2,1H3,(H,14,15)(H,9,12,13)
InChIKeyAVAAIJJVODUZMD-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.92
Rot. Bonds2

About 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid

2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid (PubChem CID 66062995) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid
PubChem CID66062995
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H11N3O5/c1-10(4-7(14)15)8(16)11-2-5(12)9-6(13)3-11/h2-4H2,1H3,(H,14,15)(H,9,12,13)
InChIKeyAVAAIJJVODUZMD-UHFFFAOYSA-N
XLogP-1.92
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid (CID 66062995) is 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is AVAAIJJVODUZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-10(4-7(14)15)8(16)11-2-5(12)9-6(13)3-11/h2-4H2,1H3,(H,14,15)(H,9,12,13).
What are the key properties of 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid?
2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 229.19 g/mol, XLogP of -1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 66062995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).