methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate

C17H19NO2 — CID 57296251

IUPACmethyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(18)17(19)20-2/h3-10,16H,11,18H2,1-2H3
InChIKeyBOZVHPFMZPKTRE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.70
Rot. Bonds4

About methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate

methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate (PubChem CID 57296251) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
PubChem CID57296251
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(18)17(19)20-2/h3-10,16H,11,18H2,1-2H3
InChIKeyBOZVHPFMZPKTRE-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2S)-2-amino-3-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]propanoate
CID 170568291
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
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 (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl (2S)-2-amino-3-[4-(2,6-difluoro-4-pyridinyl)phenyl]propanoate
CID 66719443
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate (CID 57296251) is methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate is COC(=O)C(N)Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate?
The InChIKey is BOZVHPFMZPKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(18)17(19)20-2/h3-10,16H,11,18H2,1-2H3.
What are the key properties of methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate?
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate has a molecular weight of 269.34 g/mol, XLogP of 2.70, 4 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-(4-methylphenyl)phenyl]propanoate is sourced from PubChem (CID 57296251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).