ethyl 3-(3-methoxypropylimino)butanoate

C10H19NO3 — CID 178130169

IUPACethyl 3-(3-methoxypropylimino)butanoate
SMILESCCOC(=O)C/C(C)=N/CCCOC
InChIInChI=1S/C10H19NO3/c1-4-14-10(12)8-9(2)11-6-5-7-13-3/h4-8H2,1-3H3/b11-9+
InChIKeyOTFOLHUZNXIKBS-PKNBQFBNSA-N
MW201.27 g/mol
LogP1.44
Rot. Bonds7

About ethyl 3-(3-methoxypropylimino)butanoate

ethyl 3-(3-methoxypropylimino)butanoate (PubChem CID 178130169) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-(3-methoxypropylimino)butanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxypropylimino)butanoate
PubChem CID178130169
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-(3-methoxypropylimino)butanoate
SMILESCCOC(=O)C/C(C)=N/CCCOC
InChIInChI=1S/C10H19NO3/c1-4-14-10(12)8-9(2)11-6-5-7-13-3/h4-8H2,1-3H3/b11-9+
InChIKeyOTFOLHUZNXIKBS-PKNBQFBNSA-N
XLogP1.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-(3-methoxypropylimino)butanoate 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

Ethyl 3-[2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]ethylimino]butanoate
CID 329421
Ethyl 3-propan-2-yliminobutanoate
CID 90808573
Ethyl 3-ethylimino-4,4,4-trifluorobutanoate
CID 83401125
Ethyl 4,4,4-trifluoro-3-propyliminobutanoate
CID 118376946
Methyl 3-methyliminobutanoate
CID 6933507
Ethyl 3-[3-(dimethylamino)propylimino]butanoate
CID 7058666
Ethyl (2E)-2-(butylimino)propanoate
CID 12330082
Ethyl 3-(methylimino)butanoate
CID 12399140
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
Ethyl 2-methyliminobutanoate
CID 18322595
Pentyl 3-butyliminobutanoate
CID 19796778
Ethyl 3-butyliminobutanoate
CID 19796780

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxypropylimino)butanoate?
The IUPAC name of ethyl 3-(3-methoxypropylimino)butanoate (CID 178130169) is ethyl 3-(3-methoxypropylimino)butanoate.
What is the SMILES notation for ethyl 3-(3-methoxypropylimino)butanoate?
The canonical SMILES for ethyl 3-(3-methoxypropylimino)butanoate is CCOC(=O)C/C(C)=N/CCCOC.
What is the InChIKey of ethyl 3-(3-methoxypropylimino)butanoate?
The InChIKey is OTFOLHUZNXIKBS-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-14-10(12)8-9(2)11-6-5-7-13-3/h4-8H2,1-3H3/b11-9+.
What are the key properties of ethyl 3-(3-methoxypropylimino)butanoate?
ethyl 3-(3-methoxypropylimino)butanoate has a molecular weight of 201.27 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxypropylimino)butanoate is sourced from PubChem (CID 178130169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).