ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride

C12H18ClNO2 — CID 11345551

IUPACethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccc(C)cc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-15-12(14)11(13)8-10-6-4-9(2)5-7-10;/h4-7,11H,3,8,13H2,1-2H3;1H
InChIKeyONWAJBBMBVNQBF-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride

ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride (PubChem CID 11345551) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride
PubChem CID11345551
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccc(C)cc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-15-12(14)11(13)8-10-6-4-9(2)5-7-10;/h4-7,11H,3,8,13H2,1-2H3;1H
InChIKeyONWAJBBMBVNQBF-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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-(4-methylphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride (CID 11345551) is ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride is CCOC(=O)C(N)Cc1ccc(C)cc1.Cl.
What is the InChIKey of ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
The InChIKey is ONWAJBBMBVNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-3-15-12(14)11(13)8-10-6-4-9(2)5-7-10;/h4-7,11H,3,8,13H2,1-2H3;1H.
What are the key properties of ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
ethyl 2-amino-3-(4-methylphenyl)propanoate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.85, 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-(4-methylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 11345551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).