ethyl 3-amino-3-phenylpropanoate;hydrochloride

C11H16ClNO2 — CID 15571061

IUPACethyl 3-amino-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H
InChIKeyATSZQDTVNRNXKB-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.06
Rot. Bonds4

About ethyl 3-amino-3-phenylpropanoate;hydrochloride

ethyl 3-amino-3-phenylpropanoate;hydrochloride (PubChem CID 15571061) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is ethyl 3-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-3-phenylpropanoate;hydrochloride
PubChem CID15571061
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Nameethyl 3-amino-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H
InChIKeyATSZQDTVNRNXKB-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-3-phenylpropanoate;hydrochloride (CID 15571061) is ethyl 3-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-3-phenylpropanoate;hydrochloride is CCOC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of ethyl 3-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is ATSZQDTVNRNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H.
What are the key properties of ethyl 3-amino-3-phenylpropanoate;hydrochloride?
ethyl 3-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 15571061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).