1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

C11H14N4O6 — CID 107438943

IUPAC1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)NC2CCC(=O)NC2=O)C(C(=O)O)CN1
InChIInChI=1S/C11H14N4O6/c16-7-2-1-5(9(18)14-7)13-11(21)15-4-8(17)12-3-6(15)10(19)20/h5-6H,1-4H2,(H,12,17)(H,13,21)(H,19,20)(H,14,16,18)
InChIKeyNSORIFMIWFRCTQ-UHFFFAOYSA-N
MW298.26 g/mol
LogP-2.61
Rot. Bonds2

About 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438943) has the molecular formula C11H14N4O6 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107438943
Molecular FormulaC11H14N4O6
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)NC2CCC(=O)NC2=O)C(C(=O)O)CN1
InChIInChI=1S/C11H14N4O6/c16-7-2-1-5(9(18)14-7)13-11(21)15-4-8(17)12-3-6(15)10(19)20/h5-6H,1-4H2,(H,12,17)(H,13,21)(H,19,20)(H,14,16,18)
InChIKeyNSORIFMIWFRCTQ-UHFFFAOYSA-N
XLogP-2.61
TPSA144.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-2.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic 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 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107438943) is 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)NC2CCC(=O)NC2=O)C(C(=O)O)CN1.
What is the InChIKey of 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is NSORIFMIWFRCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O6/c16-7-2-1-5(9(18)14-7)13-11(21)15-4-8(17)12-3-6(15)10(19)20/h5-6H,1-4H2,(H,12,17)(H,13,21)(H,19,20)(H,14,16,18).
What are the key properties of 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of -2.61, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).