methyl 2-amino-3-phenylpropanoate;dihydrochloride

C10H15Cl2NO2 — CID 174427349

IUPACmethyl 2-amino-3-phenylpropanoate;dihydrochloride
SMILESCOC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C10H13NO2.2ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;;/h2-6,9H,7,11H2,1H3;2*1H
InChIKeyIFFDSIFXVSHJEX-UHFFFAOYSA-N
MW252.14 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-amino-3-phenylpropanoate;dihydrochloride

methyl 2-amino-3-phenylpropanoate;dihydrochloride (PubChem CID 174427349) has the molecular formula C10H15Cl2NO2 and a molecular weight of 252.14 g/mol. Its IUPAC name is methyl 2-amino-3-phenylpropanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-phenylpropanoate;dihydrochloride
PubChem CID174427349
Molecular FormulaC10H15Cl2NO2
Molecular Weight252.14 g/mol
Exact Mass251.05
IUPAC Namemethyl 2-amino-3-phenylpropanoate;dihydrochloride
SMILESCOC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C10H13NO2.2ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;;/h2-6,9H,7,11H2,1H3;2*1H
InChIKeyIFFDSIFXVSHJEX-UHFFFAOYSA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
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2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
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methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
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deuteriomethyl (2S)-2-amino-3-phenylpropanoate
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methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
CID 175525029
CID 175525029
2-hydroxypropanoyl 2-amino-3-phenylpropaneperoxoate;hydrochloride
CID 141457481

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-phenylpropanoate;dihydrochloride?
The IUPAC name of methyl 2-amino-3-phenylpropanoate;dihydrochloride (CID 174427349) is methyl 2-amino-3-phenylpropanoate;dihydrochloride.
What is the SMILES notation for methyl 2-amino-3-phenylpropanoate;dihydrochloride?
The canonical SMILES for methyl 2-amino-3-phenylpropanoate;dihydrochloride is COC(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of methyl 2-amino-3-phenylpropanoate;dihydrochloride?
The InChIKey is IFFDSIFXVSHJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.2ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;;/h2-6,9H,7,11H2,1H3;2*1H.
What are the key properties of methyl 2-amino-3-phenylpropanoate;dihydrochloride?
methyl 2-amino-3-phenylpropanoate;dihydrochloride has a molecular weight of 252.14 g/mol, XLogP of 1.57, 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;dihydrochloride is sourced from PubChem (CID 174427349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).