methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate

C17H19NO2 — CID 174643019

IUPACmethyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C17H19NO2/c1-12-10-15(13-6-4-3-5-7-13)9-8-14(12)11-16(18)17(19)20-2/h3-10,16H,11,18H2,1-2H3
InChIKeyCUBRYJNHBFKIAE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.70
Rot. Bonds4

About methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate

methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate (PubChem CID 174643019) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
PubChem CID174643019
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C17H19NO2/c1-12-10-15(13-6-4-3-5-7-13)9-8-14(12)11-16(18)17(19)20-2/h3-10,16H,11,18H2,1-2H3
InChIKeyCUBRYJNHBFKIAE-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

Analyze methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
methyl 4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-3-methylbenzoate
CID 171238342
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl (2S)-2-amino-3-(2-benzyl-4-hydroxyphenyl)propanoate
CID 57157888
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate (CID 174643019) is methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate is COC(=O)C(N)Cc1ccc(-c2ccccc2)cc1C.
What is the InChIKey of methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate?
The InChIKey is CUBRYJNHBFKIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-10-15(13-6-4-3-5-7-13)9-8-14(12)11-16(18)17(19)20-2/h3-10,16H,11,18H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate?
methyl 2-amino-3-(2-methyl-4-phenylphenyl)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-(2-methyl-4-phenylphenyl)propanoate is sourced from PubChem (CID 174643019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).