ethyl 3-anilinopropanoate

C11H15NO2 — CID 10910393

IUPACethyl 3-anilinopropanoate
SMILESCCOC(=O)CCNc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyTXEPQFCHHDFYMO-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds5

About ethyl 3-anilinopropanoate

ethyl 3-anilinopropanoate (PubChem CID 10910393) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-anilinopropanoate.

Molecular Properties

Compound Nameethyl 3-anilinopropanoate
PubChem CID10910393
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-anilinopropanoate
SMILESCCOC(=O)CCNc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyTXEPQFCHHDFYMO-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
octyl 3-anilinopropanoate
CID 63541566
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
3,3-dimethylbutyl 3-anilinopropanoate
CID 66225531
ethyl 3-(2-iodoanilino)propanoate
CID 43174220
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilinopropanoate?
The IUPAC name of ethyl 3-anilinopropanoate (CID 10910393) is ethyl 3-anilinopropanoate.
What is the SMILES notation for ethyl 3-anilinopropanoate?
The canonical SMILES for ethyl 3-anilinopropanoate is CCOC(=O)CCNc1ccccc1.
What is the InChIKey of ethyl 3-anilinopropanoate?
The InChIKey is TXEPQFCHHDFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3.
What are the key properties of ethyl 3-anilinopropanoate?
ethyl 3-anilinopropanoate has a molecular weight of 193.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilinopropanoate is sourced from PubChem (CID 10910393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).