1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea

C9H18N4O2 — CID 104892229

IUPAC1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
SMILESCCN(CC(N)=NO)C(=O)NC1CCC1
InChIInChI=1S/C9H18N4O2/c1-2-13(6-8(10)12-15)9(14)11-7-4-3-5-7/h7,15H,2-6H2,1H3,(H2,10,12)(H,11,14)
InChIKeyMIYXIGGOTFDZOQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.32
Rot. Bonds4

About 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea

1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea (PubChem CID 104892229) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea.

Molecular Properties

Compound Name1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
PubChem CID104892229
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
SMILESCCN(CC(N)=NO)C(=O)NC1CCC1
InChIInChI=1S/C9H18N4O2/c1-2-13(6-8(10)12-15)9(14)11-7-4-3-5-7/h7,15H,2-6H2,1H3,(H2,10,12)(H,11,14)
InChIKeyMIYXIGGOTFDZOQ-UHFFFAOYSA-N
XLogP0.32
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea?
The IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea (CID 104892229) is 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea.
What is the SMILES notation for 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea?
The canonical SMILES for 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea is CCN(CC(N)=NO)C(=O)NC1CCC1.
What is the InChIKey of 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea?
The InChIKey is MIYXIGGOTFDZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-2-13(6-8(10)12-15)9(14)11-7-4-3-5-7/h7,15H,2-6H2,1H3,(H2,10,12)(H,11,14).
What are the key properties of 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea?
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea has a molecular weight of 214.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea is sourced from PubChem (CID 104892229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).