methyl 4-hydroxy-3-iminobutanimidate

C5H10N2O2 — CID 89089219

IUPACmethyl 4-hydroxy-3-iminobutanimidate
SMILES[H]/N=C(\CO)C/C(=N/[H])OC
InChIInChI=1S/C5H10N2O2/c1-9-5(7)2-4(6)3-8/h6-8H,2-3H2,1H3/b6-4-,7-5-
InChIKeyCKRCLOAOQBSGHU-PEPZGXQESA-N
MW130.15 g/mol
LogP0.01
Rot. Bonds3

About methyl 4-hydroxy-3-iminobutanimidate

methyl 4-hydroxy-3-iminobutanimidate (PubChem CID 89089219) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is methyl 4-hydroxy-3-iminobutanimidate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-iminobutanimidate
PubChem CID89089219
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Namemethyl 4-hydroxy-3-iminobutanimidate
SMILES[H]/N=C(\CO)C/C(=N/[H])OC
InChIInChI=1S/C5H10N2O2/c1-9-5(7)2-4(6)3-8/h6-8H,2-3H2,1H3/b6-4-,7-5-
InChIKeyCKRCLOAOQBSGHU-PEPZGXQESA-N
XLogP0.01
TPSA77.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 4-hydroxy-3-iminobutanimidate with MolForge

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

Launch Full Analysis

Related Compounds

CID 23221843
CID 23221843
CID 54468047
CID 54468047
CID 88554259
CID 88554259
CID 90021025
CID 90021025
CID 140782986
CID 140782986
CID 145039508
CID 145039508
CID 167561592
CID 167561592
CID 174502948
CID 174502948
CID 53404341
CID 53404341
CID 90021026
CID 90021026

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-iminobutanimidate?
The IUPAC name of methyl 4-hydroxy-3-iminobutanimidate (CID 89089219) is methyl 4-hydroxy-3-iminobutanimidate.
What is the SMILES notation for methyl 4-hydroxy-3-iminobutanimidate?
The canonical SMILES for methyl 4-hydroxy-3-iminobutanimidate is [H]/N=C(\CO)C/C(=N/[H])OC.
What is the InChIKey of methyl 4-hydroxy-3-iminobutanimidate?
The InChIKey is CKRCLOAOQBSGHU-PEPZGXQESA-N. The full InChI is InChI=1S/C5H10N2O2/c1-9-5(7)2-4(6)3-8/h6-8H,2-3H2,1H3/b6-4-,7-5-.
What are the key properties of methyl 4-hydroxy-3-iminobutanimidate?
methyl 4-hydroxy-3-iminobutanimidate has a molecular weight of 130.15 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-iminobutanimidate is sourced from PubChem (CID 89089219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).