2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid

C17H19NO3 — CID 115982240

IUPAC2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCOc1cccc(CC(Cc2ncccc2C)C(=O)O)c1
InChIInChI=1S/C17H19NO3/c1-12-5-4-8-18-16(12)11-14(17(19)20)9-13-6-3-7-15(10-13)21-2/h3-8,10,14H,9,11H2,1-2H3,(H,19,20)
InChIKeyRUVPOZKVLYNFJV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.88
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid

2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 115982240) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID115982240
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCOc1cccc(CC(Cc2ncccc2C)C(=O)O)c1
InChIInChI=1S/C17H19NO3/c1-12-5-4-8-18-16(12)11-14(17(19)20)9-13-6-3-7-15(10-13)21-2/h3-8,10,14H,9,11H2,1-2H3,(H,19,20)
InChIKeyRUVPOZKVLYNFJV-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982237
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
4-methoxy-2-[(3-methoxyphenyl)methyl]butanoic acid
CID 60793375
4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 79418575
2-[(3-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79419135
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
CID 63000304
2-[(2-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793232
2-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanoic acid
CID 112513556
3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
2-[(5-ethylthiophen-2-yl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793231
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid (CID 115982240) is 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid is COc1cccc(CC(Cc2ncccc2C)C(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is RUVPOZKVLYNFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-5-4-8-18-16(12)11-14(17(19)20)9-13-6-3-7-15(10-13)21-2/h3-8,10,14H,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 115982240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).