methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride

C10H14ClNO2 — CID 22940671

IUPACmethyl (3S)-3-amino-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
InChIKeyGYKTZBZYSKZYDB-FVGYRXGTSA-N
MW215.68 g/mol
LogP1.67
Rot. Bonds3

About methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride

methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride (PubChem CID 22940671) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-3-amino-3-phenylpropanoate;hydrochloride
PubChem CID22940671
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl (3S)-3-amino-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
InChIKeyGYKTZBZYSKZYDB-FVGYRXGTSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride (CID 22940671) is methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride is COC(=O)C[C@H](N)c1ccccc1.Cl.
What is the InChIKey of methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is GYKTZBZYSKZYDB-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride?
methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 22940671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).