2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid

C16H17NO3 — CID 12968475

IUPAC2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1cccc(-c2ccc(CC(N)C(=O)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-20-14-4-2-3-13(10-14)12-7-5-11(6-8-12)9-15(17)16(18)19/h2-8,10,15H,9,17H2,1H3,(H,18,19)
InChIKeyFREFJQVVDGOAQX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid

2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid (PubChem CID 12968475) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
PubChem CID12968475
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1cccc(-c2ccc(CC(N)C(=O)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-20-14-4-2-3-13(10-14)12-7-5-11(6-8-12)9-15(17)16(18)19/h2-8,10,15H,9,17H2,1H3,(H,18,19)
InChIKeyFREFJQVVDGOAQX-UHFFFAOYSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
CID 71685854
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-[4-[5-[3-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid;hydrochloride
CID 164571329
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
CID 172529534
(2R)-2-amino-3-[4-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
CID 124560380
(2S)-3-[4-(3-methoxyphenyl)phenyl]-2-(phosphonomethylamino)propanoic acid
CID 54102415
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid (CID 12968475) is 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid is COc1cccc(-c2ccc(CC(N)C(=O)O)cc2)c1.
What is the InChIKey of 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid?
The InChIKey is FREFJQVVDGOAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-4-2-3-13(10-14)12-7-5-11(6-8-12)9-15(17)16(18)19/h2-8,10,15H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid?
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 12968475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).