ethyl 3-imino-3-methoxypropanoate

C6H11NO3 — CID 11029967

IUPACethyl 3-imino-3-methoxypropanoate
SMILES[H]/N=C(/CC(=O)OCC)OC
InChIInChI=1S/C6H11NO3/c1-3-10-6(8)4-5(7)9-2/h7H,3-4H2,1-2H3/b7-5-
InChIKeyXBXFDPWCIYJQNP-ALCCZGGFSA-N
MW145.16 g/mol
LogP0.56
Rot. Bonds3

About ethyl 3-imino-3-methoxypropanoate

ethyl 3-imino-3-methoxypropanoate (PubChem CID 11029967) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 3-imino-3-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3-imino-3-methoxypropanoate
PubChem CID11029967
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 3-imino-3-methoxypropanoate
SMILES[H]/N=C(/CC(=O)OCC)OC
InChIInChI=1S/C6H11NO3/c1-3-10-6(8)4-5(7)9-2/h7H,3-4H2,1-2H3/b7-5-
InChIKeyXBXFDPWCIYJQNP-ALCCZGGFSA-N
XLogP0.56
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-imino-3-methoxypropanoate 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 ethyl 3-imino-3-methoxypropanoate?
The IUPAC name of ethyl 3-imino-3-methoxypropanoate (CID 11029967) is ethyl 3-imino-3-methoxypropanoate.
What is the SMILES notation for ethyl 3-imino-3-methoxypropanoate?
The canonical SMILES for ethyl 3-imino-3-methoxypropanoate is [H]/N=C(/CC(=O)OCC)OC.
What is the InChIKey of ethyl 3-imino-3-methoxypropanoate?
The InChIKey is XBXFDPWCIYJQNP-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-6(8)4-5(7)9-2/h7H,3-4H2,1-2H3/b7-5-.
What are the key properties of ethyl 3-imino-3-methoxypropanoate?
ethyl 3-imino-3-methoxypropanoate has a molecular weight of 145.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-imino-3-methoxypropanoate is sourced from PubChem (CID 11029967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).