(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile

C7H10N4O3 — CID 86315829

IUPAC(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
SMILESCCN1C(=O)NC(=O)[C@@]1(C#N)NOC
InChIInChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)/t7-/m0/s1
InChIKeyUHLOZXUJVHDKAG-ZETCQYMHSA-N
MW198.18 g/mol
LogP-1.07
Rot. Bonds3

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

(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile (PubChem CID 86315829) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
PubChem CID86315829
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
SMILESCCN1C(=O)NC(=O)[C@@]1(C#N)NOC
InChIInChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)/t7-/m0/s1
InChIKeyUHLOZXUJVHDKAG-ZETCQYMHSA-N
XLogP-1.07
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
The IUPAC name of (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile (CID 86315829) is (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile is CCN1C(=O)NC(=O)[C@@]1(C#N)NOC.
What is the InChIKey of (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
The InChIKey is UHLOZXUJVHDKAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)/t7-/m0/s1.
What are the key properties of (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 86315829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).