(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid

C16H17NO2 — CID 172529545

IUPAC(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
SMILESCc1cccc(-c2cccc(C[C@H](N)C(=O)O)c2)c1
InChIInChI=1S/C16H17NO2/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15(17)16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyMSDXIIRASBXKEU-HNNXBMFYSA-N
MW255.32 g/mol
LogP2.62
Rot. Bonds4

About (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid

(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid (PubChem CID 172529545) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
PubChem CID172529545
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
SMILESCc1cccc(-c2cccc(C[C@H](N)C(=O)O)c2)c1
InChIInChI=1S/C16H17NO2/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15(17)16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyMSDXIIRASBXKEU-HNNXBMFYSA-N
XLogP2.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid (CID 172529545) is (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid is Cc1cccc(-c2cccc(C[C@H](N)C(=O)O)c2)c1.
What is the InChIKey of (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid?
The InChIKey is MSDXIIRASBXKEU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15(17)16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid?
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 172529545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).