methyl 3-(2-hydroxyethylimino)butanoate

C7H13NO3 — CID 54315663

IUPACmethyl 3-(2-hydroxyethylimino)butanoate
SMILESCOC(=O)C/C(C)=N/CCO
InChIInChI=1S/C7H13NO3/c1-6(8-3-4-9)5-7(10)11-2/h9H,3-5H2,1-2H3/b8-6+
InChIKeySNZBJQFCSFDCNN-SOFGYWHQSA-N
MW159.18 g/mol
LogP0.00
Rot. Bonds4

About methyl 3-(2-hydroxyethylimino)butanoate

methyl 3-(2-hydroxyethylimino)butanoate (PubChem CID 54315663) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethylimino)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethylimino)butanoate
PubChem CID54315663
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-(2-hydroxyethylimino)butanoate
SMILESCOC(=O)C/C(C)=N/CCO
InChIInChI=1S/C7H13NO3/c1-6(8-3-4-9)5-7(10)11-2/h9H,3-5H2,1-2H3/b8-6+
InChIKeySNZBJQFCSFDCNN-SOFGYWHQSA-N
XLogP0.00
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-methyliminobutanoate
CID 6933507
Ethyl 3-(methylimino)butanoate
CID 12399140
Methyl 3-propyliminobutanoate
CID 53736733
Ethyl 3-ethyliminobutanoate
CID 53856161
Methyl 3-ethyliminobutanoate
CID 54224289
2-[(4-Ethoxy-4-oxobutan-2-ylidene)amino]acetic acid
CID 56606622
(2S)-2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]propanoic acid
CID 56608893
2-[(4-Ethoxy-4-oxobutan-2-ylidene)amino]propanoic acid
CID 56609305
2-[(4-Methoxy-4-oxobutan-2-ylidene)amino]acetic acid
CID 56634275
2-(2-Hydroxyethylimino)propanoic acid
CID 87583772
3-Ethyliminobutanoic acid
CID 91251853
Methyl 3-(2-hydroxyethylimino)propanoate
CID 139752186

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethylimino)butanoate?
The IUPAC name of methyl 3-(2-hydroxyethylimino)butanoate (CID 54315663) is methyl 3-(2-hydroxyethylimino)butanoate.
What is the SMILES notation for methyl 3-(2-hydroxyethylimino)butanoate?
The canonical SMILES for methyl 3-(2-hydroxyethylimino)butanoate is COC(=O)C/C(C)=N/CCO.
What is the InChIKey of methyl 3-(2-hydroxyethylimino)butanoate?
The InChIKey is SNZBJQFCSFDCNN-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(8-3-4-9)5-7(10)11-2/h9H,3-5H2,1-2H3/b8-6+.
What are the key properties of methyl 3-(2-hydroxyethylimino)butanoate?
methyl 3-(2-hydroxyethylimino)butanoate has a molecular weight of 159.18 g/mol, XLogP of 0.00, 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)butanoate is sourced from PubChem (CID 54315663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).