2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid

C11H17N3O5 — CID 66067482

IUPAC2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N1CC(=O)NC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C11H17N3O5/c1-10(2,8(17)18)13-9(19)14-5-6(15)12-7(16)11(14,3)4/h5H2,1-4H3,(H,13,19)(H,17,18)(H,12,15,16)
InChIKeyBAGYYTXTEWPVBA-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.70
Rot. Bonds2

About 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid

2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 66067482) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID66067482
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N1CC(=O)NC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C11H17N3O5/c1-10(2,8(17)18)13-9(19)14-5-6(15)12-7(16)11(14,3)4/h5H2,1-4H3,(H,13,19)(H,17,18)(H,12,15,16)
InChIKeyBAGYYTXTEWPVBA-UHFFFAOYSA-N
XLogP-0.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
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-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid (CID 66067482) is 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)N1CC(=O)NC(=O)C1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is BAGYYTXTEWPVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-10(2,8(17)18)13-9(19)14-5-6(15)12-7(16)11(14,3)4/h5H2,1-4H3,(H,13,19)(H,17,18)(H,12,15,16).
What are the key properties of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid?
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66067482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).