2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid

C16H17NO3 — CID 104572925

IUPAC2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
SMILESCOc1cccnc1C(Cc1ccccc1C)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11-6-3-4-7-12(11)10-13(16(18)19)15-14(20-2)8-5-9-17-15/h3-9,13H,10H2,1-2H3,(H,18,19)
InChIKeyJQRAZAKXGOCRIE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.81
Rot. Bonds5

About 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid

2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid (PubChem CID 104572925) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
PubChem CID104572925
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
SMILESCOc1cccnc1C(Cc1ccccc1C)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11-6-3-4-7-12(11)10-13(16(18)19)15-14(20-2)8-5-9-17-15/h3-9,13H,10H2,1-2H3,(H,18,19)
InChIKeyJQRAZAKXGOCRIE-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226
3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572566
2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 106879271
[1-(3-methoxy-2-pyridinyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 114054909
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104572948
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid (CID 104572925) is 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid is COc1cccnc1C(Cc1ccccc1C)C(=O)O.
What is the InChIKey of 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is JQRAZAKXGOCRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-3-4-7-12(11)10-13(16(18)19)15-14(20-2)8-5-9-17-15/h3-9,13H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 104572925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).