(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide

C4H9N3O2 — CID 55288976

IUPAC(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide
SMILESNCCNC(=O)/C=N/O
InChIInChI=1S/C4H9N3O2/c5-1-2-6-4(8)3-7-9/h3,9H,1-2,5H2,(H,6,8)/b7-3+
InChIKeyUDQJFVSEUKMIDY-XVNBXDOJSA-N
MW131.14 g/mol
LogP-1.48
Rot. Bonds3

About (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide

(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide (PubChem CID 55288976) has the molecular formula C4H9N3O2 and a molecular weight of 131.14 g/mol. Its IUPAC name is (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide
PubChem CID55288976
Molecular FormulaC4H9N3O2
Molecular Weight131.14 g/mol
Exact Mass131.07
IUPAC Name(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide
SMILESNCCNC(=O)/C=N/O
InChIInChI=1S/C4H9N3O2/c5-1-2-6-4(8)3-7-9/h3,9H,1-2,5H2,(H,6,8)/b7-3+
InChIKeyUDQJFVSEUKMIDY-XVNBXDOJSA-N
XLogP-1.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide (CID 55288976) is (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide is NCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide?
The InChIKey is UDQJFVSEUKMIDY-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H9N3O2/c5-1-2-6-4(8)3-7-9/h3,9H,1-2,5H2,(H,6,8)/b7-3+.
What are the key properties of (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide?
(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide has a molecular weight of 131.14 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 55288976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).