ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride

C12H18ClNO2 — CID 72824272

IUPACethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(N)Cc1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-15-11(14)12(2,13)9-10-7-5-4-6-8-10;/h4-8H,3,9,13H2,1-2H3;1H
InChIKeyOWSZMHAHDAKRRL-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride

ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride (PubChem CID 72824272) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride
PubChem CID72824272
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(N)Cc1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-15-11(14)12(2,13)9-10-7-5-4-6-8-10;/h4-8H,3,9,13H2,1-2H3;1H
InChIKeyOWSZMHAHDAKRRL-UHFFFAOYSA-N
XLogP1.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride (CID 72824272) is ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride is CCOC(=O)C(C)(N)Cc1ccccc1.Cl.
What is the InChIKey of ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
The InChIKey is OWSZMHAHDAKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-3-15-11(14)12(2,13)9-10-7-5-4-6-8-10;/h4-8H,3,9,13H2,1-2H3;1H.
What are the key properties of ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 72824272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).