ethyl 3-(2-methoxyethylimino)butanoate

C9H17NO3 — CID 54551950

IUPACethyl 3-(2-methoxyethylimino)butanoate
SMILESCCOC(=O)C/C(C)=N/CCOC
InChIInChI=1S/C9H17NO3/c1-4-13-9(11)7-8(2)10-5-6-12-3/h4-7H2,1-3H3/b10-8+
InChIKeyZKNBGQKNBRSPEP-CSKARUKUSA-N
MW187.24 g/mol
LogP1.05
Rot. Bonds6

About ethyl 3-(2-methoxyethylimino)butanoate

ethyl 3-(2-methoxyethylimino)butanoate (PubChem CID 54551950) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethylimino)butanoate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethylimino)butanoate
PubChem CID54551950
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 3-(2-methoxyethylimino)butanoate
SMILESCCOC(=O)C/C(C)=N/CCOC
InChIInChI=1S/C9H17NO3/c1-4-13-9(11)7-8(2)10-5-6-12-3/h4-7H2,1-3H3/b10-8+
InChIKeyZKNBGQKNBRSPEP-CSKARUKUSA-N
XLogP1.05
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.05
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'}

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Related Compounds

Ethyl 3-[2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]ethylimino]butanoate
CID 329421
ethyl 3-methyl-2H-azirine-2-carboxylate
CID 12635527
Ethyl 3-propan-2-yliminobutanoate
CID 90808573
ethyl (2S)-3-methyl-2H-azirine-2-carboxylate
CID 102445887
3-Methyl-3-(N-2-methoxycarbonylmethylencarboxy)ethyliminobutanoate
CID 581563
Ethyl 3-[3-(dimethylamino)propylimino]butanoate
CID 7058666
Ethyl 3-(methylimino)butanoate
CID 12399140
Ethyl 2-methyliminobutanoate
CID 18322595
Pentyl 3-butyliminobutanoate
CID 19796778
Ethyl 3-butyliminobutanoate
CID 19796780
Propyl 3-butyliminobutanoate
CID 19796782
Ethyl 3-pentyliminobutanoate
CID 19796783

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethylimino)butanoate?
The IUPAC name of ethyl 3-(2-methoxyethylimino)butanoate (CID 54551950) is ethyl 3-(2-methoxyethylimino)butanoate.
What is the SMILES notation for ethyl 3-(2-methoxyethylimino)butanoate?
The canonical SMILES for ethyl 3-(2-methoxyethylimino)butanoate is CCOC(=O)C/C(C)=N/CCOC.
What is the InChIKey of ethyl 3-(2-methoxyethylimino)butanoate?
The InChIKey is ZKNBGQKNBRSPEP-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-13-9(11)7-8(2)10-5-6-12-3/h4-7H2,1-3H3/b10-8+.
What are the key properties of ethyl 3-(2-methoxyethylimino)butanoate?
ethyl 3-(2-methoxyethylimino)butanoate has a molecular weight of 187.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethylimino)butanoate is sourced from PubChem (CID 54551950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).