methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride

C11H15Cl2NO2 — CID 134690881

IUPACmethyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8;/h3-6H,7,13H2,1-2H3;1H
InChIKeyLULOIOMCCWQZPZ-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride

methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride (PubChem CID 134690881) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride
PubChem CID134690881
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Namemethyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8;/h3-6H,7,13H2,1-2H3;1H
InChIKeyLULOIOMCCWQZPZ-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride (CID 134690881) is methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride is COC(=O)C(C)(N)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride?
The InChIKey is LULOIOMCCWQZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8;/h3-6H,7,13H2,1-2H3;1H.
What are the key properties of methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride?
methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 134690881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).