methyl 3-(2-hydroxyethylimino)propanoate

C6H11NO3 — CID 139752186

IUPACmethyl 3-(2-hydroxyethylimino)propanoate
SMILESCOC(=O)C/C=N/CCO
InChIInChI=1S/C6H11NO3/c1-10-6(9)2-3-7-4-5-8/h3,8H,2,4-5H2,1H3/b7-3+
InChIKeyCUGGHPFRDMWNRF-XVNBXDOJSA-N
MW145.16 g/mol
LogP-0.39
Rot. Bonds4

About methyl 3-(2-hydroxyethylimino)propanoate

methyl 3-(2-hydroxyethylimino)propanoate (PubChem CID 139752186) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethylimino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethylimino)propanoate
PubChem CID139752186
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-(2-hydroxyethylimino)propanoate
SMILESCOC(=O)C/C=N/CCO
InChIInChI=1S/C6H11NO3/c1-10-6(9)2-3-7-4-5-8/h3,8H,2,4-5H2,1H3/b7-3+
InChIKeyCUGGHPFRDMWNRF-XVNBXDOJSA-N
XLogP-0.39
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-(2-hydroxyethylimino)propanoate 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 methyl 3-(2-hydroxyethylimino)propanoate?
The IUPAC name of methyl 3-(2-hydroxyethylimino)propanoate (CID 139752186) is methyl 3-(2-hydroxyethylimino)propanoate.
What is the SMILES notation for methyl 3-(2-hydroxyethylimino)propanoate?
The canonical SMILES for methyl 3-(2-hydroxyethylimino)propanoate is COC(=O)C/C=N/CCO.
What is the InChIKey of methyl 3-(2-hydroxyethylimino)propanoate?
The InChIKey is CUGGHPFRDMWNRF-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(9)2-3-7-4-5-8/h3,8H,2,4-5H2,1H3/b7-3+.
What are the key properties of methyl 3-(2-hydroxyethylimino)propanoate?
methyl 3-(2-hydroxyethylimino)propanoate has a molecular weight of 145.16 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethylimino)propanoate is sourced from PubChem (CID 139752186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).