3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide

C7H12N4O4 — CID 45095227

IUPAC3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)NC(=O)C1(NOC)C(N)=O
InChIInChI=1S/C7H12N4O4/c1-3-11-6(14)9-5(13)7(11,4(8)12)10-15-2/h10H,3H2,1-2H3,(H2,8,12)(H,9,13,14)
InChIKeyCTDZGEFRMQIFFW-UHFFFAOYSA-N
MW216.20 g/mol
LogP-2.11
Rot. Bonds4

About 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide

3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide (PubChem CID 45095227) has the molecular formula C7H12N4O4 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide
PubChem CID45095227
Molecular FormulaC7H12N4O4
Molecular Weight216.20 g/mol
Exact Mass216.09
IUPAC Name3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)NC(=O)C1(NOC)C(N)=O
InChIInChI=1S/C7H12N4O4/c1-3-11-6(14)9-5(13)7(11,4(8)12)10-15-2/h10H,3H2,1-2H3,(H2,8,12)(H,9,13,14)
InChIKeyCTDZGEFRMQIFFW-UHFFFAOYSA-N
XLogP-2.11
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide?
The IUPAC name of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide (CID 45095227) is 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide.
What is the SMILES notation for 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide?
The canonical SMILES for 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide is CCN1C(=O)NC(=O)C1(NOC)C(N)=O.
What is the InChIKey of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide?
The InChIKey is CTDZGEFRMQIFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4/c1-3-11-6(14)9-5(13)7(11,4(8)12)10-15-2/h10H,3H2,1-2H3,(H2,8,12)(H,9,13,14).
What are the key properties of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide?
3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide has a molecular weight of 216.20 g/mol, XLogP of -2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide is sourced from PubChem (CID 45095227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).