methyl 2-amino-3-phenylpropanoate;hydrochloride

C10H14ClNO2 — CID 3084017

IUPACmethyl 2-amino-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
InChIKeySWVMLNPDTIFDDY-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.15
Rot. Bonds3

About methyl 2-amino-3-phenylpropanoate;hydrochloride

methyl 2-amino-3-phenylpropanoate;hydrochloride (PubChem CID 3084017) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl 2-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-phenylpropanoate;hydrochloride
PubChem CID3084017
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-amino-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
InChIKeySWVMLNPDTIFDDY-UHFFFAOYSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.15
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-phenylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-phenylpropanoate;hydrochloride (CID 3084017) is methyl 2-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-phenylpropanoate;hydrochloride is COC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of methyl 2-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is SWVMLNPDTIFDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H.
What are the key properties of methyl 2-amino-3-phenylpropanoate;hydrochloride?
methyl 2-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.15, 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-phenylpropanoate;hydrochloride is sourced from PubChem (CID 3084017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).