methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride

C11H16ClNO2 — CID 54763157

IUPACmethyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccc(C)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8-3-5-9(6-4-8)7-10(12)11(13)14-2;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeyNBAGSINATBCQNZ-HNCPQSOCSA-N
MW229.71 g/mol
LogP1.46
Rot. Bonds3

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

methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride (PubChem CID 54763157) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
PubChem CID54763157
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Namemethyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccc(C)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8-3-5-9(6-4-8)7-10(12)11(13)14-2;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeyNBAGSINATBCQNZ-HNCPQSOCSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl (2S)-2-amino-3-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]propanoate
CID 170568291
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2S)-3-[4-(4-acetylphenyl)phenyl]-2-aminopropanoate;hydrochloride
CID 46172850
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2S)-2-amino-3-(4-methylsulfonylphenyl)propanoate;hydrochloride
CID 139716321
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride (CID 54763157) is methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1ccc(C)cc1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
The InChIKey is NBAGSINATBCQNZ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-8-3-5-9(6-4-8)7-10(12)11(13)14-2;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 54763157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).