4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid

C10H13N3O6 — CID 66241377

IUPAC4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C1CN(C(=O)NC2COCC2C(=O)O)CC(=O)N1
InChIInChI=1S/C10H13N3O6/c14-7-1-13(2-8(15)12-7)10(18)11-6-4-19-3-5(6)9(16)17/h5-6H,1-4H2,(H,11,18)(H,16,17)(H,12,14,15)
InChIKeyIKQUFIJCXHPAEB-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.25
Rot. Bonds2

About 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66241377) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66241377
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C1CN(C(=O)NC2COCC2C(=O)O)CC(=O)N1
InChIInChI=1S/C10H13N3O6/c14-7-1-13(2-8(15)12-7)10(18)11-6-4-19-3-5(6)9(16)17/h5-6H,1-4H2,(H,11,18)(H,16,17)(H,12,14,15)
InChIKeyIKQUFIJCXHPAEB-UHFFFAOYSA-N
XLogP-2.25
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 66241377) is 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid is O=C1CN(C(=O)NC2COCC2C(=O)O)CC(=O)N1.
What is the InChIKey of 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IKQUFIJCXHPAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c14-7-1-13(2-8(15)12-7)10(18)11-6-4-19-3-5(6)9(16)17/h5-6H,1-4H2,(H,11,18)(H,16,17)(H,12,14,15).
What are the key properties of 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of -2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).