2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

C11H17N3O5 — CID 66074486

IUPAC2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H17N3O5/c1-6(2)13(5-9(16)17)11(19)14-4-8(15)12-10(18)7(14)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,15,18)
InChIKeyDESVYDFYAGOTAA-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.75
Rot. Bonds3

About 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 66074486) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID66074486
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H17N3O5/c1-6(2)13(5-9(16)17)11(19)14-4-8(15)12-10(18)7(14)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,15,18)
InChIKeyDESVYDFYAGOTAA-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (CID 66074486) is 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is DESVYDFYAGOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-6(2)13(5-9(16)17)11(19)14-4-8(15)12-10(18)7(14)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,15,18).
What are the key properties of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 271.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66074486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).