ethyl 3-(1-phenylethylamino)propanoate

C13H19NO2 — CID 11543103

IUPACethyl 3-(1-phenylethylamino)propanoate
SMILESCCOC(=O)CCNC(C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-10-14-11(2)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyHAICYMWLNNWRAE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds6

About ethyl 3-(1-phenylethylamino)propanoate

ethyl 3-(1-phenylethylamino)propanoate (PubChem CID 11543103) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 3-(1-phenylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-phenylethylamino)propanoate
PubChem CID11543103
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 3-(1-phenylethylamino)propanoate
SMILESCCOC(=O)CCNC(C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-10-14-11(2)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyHAICYMWLNNWRAE-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-phenylethylamino)propanoate?
The IUPAC name of ethyl 3-(1-phenylethylamino)propanoate (CID 11543103) is ethyl 3-(1-phenylethylamino)propanoate.
What is the SMILES notation for ethyl 3-(1-phenylethylamino)propanoate?
The canonical SMILES for ethyl 3-(1-phenylethylamino)propanoate is CCOC(=O)CCNC(C)c1ccccc1.
What is the InChIKey of ethyl 3-(1-phenylethylamino)propanoate?
The InChIKey is HAICYMWLNNWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13(15)9-10-14-11(2)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-(1-phenylethylamino)propanoate?
ethyl 3-(1-phenylethylamino)propanoate has a molecular weight of 221.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-phenylethylamino)propanoate is sourced from PubChem (CID 11543103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).