2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid

C10H16N2O4 — CID 69015395

IUPAC2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid
SMILESCCC(C(=O)O)(C(=O)C(C)=O)N1CCNC1
InChIInChI=1S/C10H16N2O4/c1-3-10(9(15)16,8(14)7(2)13)12-5-4-11-6-12/h11H,3-6H2,1-2H3,(H,15,16)
InChIKeyWVSRLGNLRPWCEV-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds5

About 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid

2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid (PubChem CID 69015395) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid
PubChem CID69015395
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid
SMILESCCC(C(=O)O)(C(=O)C(C)=O)N1CCNC1
InChIInChI=1S/C10H16N2O4/c1-3-10(9(15)16,8(14)7(2)13)12-5-4-11-6-12/h11H,3-6H2,1-2H3,(H,15,16)
InChIKeyWVSRLGNLRPWCEV-UHFFFAOYSA-N
XLogP-0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-Imidazolidin-1-yl-2-methylpentanoic acid
CID 70118426

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid?
The IUPAC name of 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid (CID 69015395) is 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid.
What is the SMILES notation for 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid?
The canonical SMILES for 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid is CCC(C(=O)O)(C(=O)C(C)=O)N1CCNC1.
What is the InChIKey of 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid?
The InChIKey is WVSRLGNLRPWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-10(9(15)16,8(14)7(2)13)12-5-4-11-6-12/h11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid?
2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid is sourced from PubChem (CID 69015395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).