methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate

C14H19NO4 — CID 143039907

IUPACmethyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate
SMILESCCON=C(C)C(Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-19-15-10(2)13(14(17)18-3)9-11-5-7-12(16)8-6-11/h5-8,13,16H,4,9H2,1-3H3
InChIKeyKFAQLILZIWOYPB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.14
Rot. Bonds6

About methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate

methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate (PubChem CID 143039907) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate
PubChem CID143039907
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate
SMILESCCON=C(C)C(Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-19-15-10(2)13(14(17)18-3)9-11-5-7-12(16)8-6-11/h5-8,13,16H,4,9H2,1-3H3
InChIKeyKFAQLILZIWOYPB-UHFFFAOYSA-N
XLogP2.14
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-[(4-hydroxyphenyl)methyl]butanoate
CID 22988421
ethyl 3-amino-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoate
CID 121013946
methyl (2S)-2-(deuterioamino)-3-(4-hydroxyphenyl)propanoate
CID 162457084
methyl (2S)-3-(4-hydroxyphenyl)-2-(methylideneamino)propanoate
CID 145050952
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl 2-[(4-hydroxyphenyl)methyl]heptanoate
CID 175479386
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate?
The IUPAC name of methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate (CID 143039907) is methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate.
What is the SMILES notation for methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate?
The canonical SMILES for methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate is CCON=C(C)C(Cc1ccc(O)cc1)C(=O)OC.
What is the InChIKey of methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate?
The InChIKey is KFAQLILZIWOYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-15-10(2)13(14(17)18-3)9-11-5-7-12(16)8-6-11/h5-8,13,16H,4,9H2,1-3H3.
What are the key properties of methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate?
methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate has a molecular weight of 265.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxyimino-2-[(4-hydroxyphenyl)methyl]butanoate is sourced from PubChem (CID 143039907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).