ethyl 2-amino-3-phenylpropanoate;hydrochloride

C11H16ClNO2 — CID 11333687

IUPACethyl 2-amino-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H
InChIKeyFPFQPLFYTKMCHN-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-amino-3-phenylpropanoate;hydrochloride

ethyl 2-amino-3-phenylpropanoate;hydrochloride (PubChem CID 11333687) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is ethyl 2-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-phenylpropanoate;hydrochloride
PubChem CID11333687
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-amino-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H
InChIKeyFPFQPLFYTKMCHN-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-phenylpropanoate;hydrochloride (CID 11333687) is ethyl 2-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-phenylpropanoate;hydrochloride is CCOC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of ethyl 2-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is FPFQPLFYTKMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H.
What are the key properties of ethyl 2-amino-3-phenylpropanoate;hydrochloride?
ethyl 2-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 11333687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).