ethyl 3-(4-aminophenyl)propanoate

C11H15NO2 — CID 10442595

IUPACethyl 3-(4-aminophenyl)propanoate
SMILESCCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8,12H2,1H3
InChIKeyNEXFMPAUGJAIHE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.76
Rot. Bonds4

About ethyl 3-(4-aminophenyl)propanoate

ethyl 3-(4-aminophenyl)propanoate (PubChem CID 10442595) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-aminophenyl)propanoate
PubChem CID10442595
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-(4-aminophenyl)propanoate
SMILESCCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8,12H2,1H3
InChIKeyNEXFMPAUGJAIHE-UHFFFAOYSA-N
XLogP1.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-aminophenyl)propanoate?
The IUPAC name of ethyl 3-(4-aminophenyl)propanoate (CID 10442595) is ethyl 3-(4-aminophenyl)propanoate.
What is the SMILES notation for ethyl 3-(4-aminophenyl)propanoate?
The canonical SMILES for ethyl 3-(4-aminophenyl)propanoate is CCOC(=O)CCc1ccc(N)cc1.
What is the InChIKey of ethyl 3-(4-aminophenyl)propanoate?
The InChIKey is NEXFMPAUGJAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8,12H2,1H3.
What are the key properties of ethyl 3-(4-aminophenyl)propanoate?
ethyl 3-(4-aminophenyl)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 10442595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).