ethyl 3-(5-amino-2-hydroxyphenyl)propanoate

C11H15NO3 — CID 3847295

IUPACethyl 3-(5-amino-2-hydroxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)ccc1O
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyDIRPIYSWKRVEST-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds4

About ethyl 3-(5-amino-2-hydroxyphenyl)propanoate

ethyl 3-(5-amino-2-hydroxyphenyl)propanoate (PubChem CID 3847295) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 3-(5-amino-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-amino-2-hydroxyphenyl)propanoate
PubChem CID3847295
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Nameethyl 3-(5-amino-2-hydroxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)ccc1O
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyDIRPIYSWKRVEST-UHFFFAOYSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-5-oxopentanoate
CID 54397227
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
ethyl 3-(4-amino-2-nitrophenyl)propanoate
CID 89337654
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
3-[5-(5-ethoxy-5-oxopentoxy)-2-hydroxyphenyl]propanoic acid
CID 19921943
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 5-(2-hydroxy-5-methylphenyl)-4-oxopentanoate
CID 158022977
ethyl 3-[2-(aminomethyl)-4-[3-[3-(aminomethyl)-4-hydroxyphenyl]pentan-3-yl]phenyl]propanoate
CID 174495941
ethyl 2-(5-amino-2-iodophenyl)acetate
CID 134638544
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
4-amino-2-(3-aminobutyl)phenol
CID 84657538

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-amino-2-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 3-(5-amino-2-hydroxyphenyl)propanoate (CID 3847295) is ethyl 3-(5-amino-2-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(5-amino-2-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(5-amino-2-hydroxyphenyl)propanoate is CCOC(=O)CCc1cc(N)ccc1O.
What is the InChIKey of ethyl 3-(5-amino-2-hydroxyphenyl)propanoate?
The InChIKey is DIRPIYSWKRVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h4-5,7,13H,2-3,6,12H2,1H3.
What are the key properties of ethyl 3-(5-amino-2-hydroxyphenyl)propanoate?
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-amino-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 3847295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).