2-(4,6-dimethoxy-3-pyridinyl)propanoic acid

C10H13NO4 — CID 84781510

IUPAC2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
SMILESCOc1cc(OC)c(C(C)C(=O)O)cn1
InChIInChI=1S/C10H13NO4/c1-6(10(12)13)7-5-11-9(15-3)4-8(7)14-2/h4-6H,1-3H3,(H,12,13)
InChIKeyMNOAMUQGTQVVNE-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.29
Rot. Bonds4

About 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid

2-(4,6-dimethoxy-3-pyridinyl)propanoic acid (PubChem CID 84781510) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
PubChem CID84781510
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
SMILESCOc1cc(OC)c(C(C)C(=O)O)cn1
InChIInChI=1S/C10H13NO4/c1-6(10(12)13)7-5-11-9(15-3)4-8(7)14-2/h4-6H,1-3H3,(H,12,13)
InChIKeyMNOAMUQGTQVVNE-UHFFFAOYSA-N
XLogP1.29
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
3-(1-carboxyethyl)-4,5-dimethoxybenzoic acid
CID 117388426
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
CID 130560472
2-(5-cyano-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117315216
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 117445688

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid?
The IUPAC name of 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid (CID 84781510) is 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid is COc1cc(OC)c(C(C)C(=O)O)cn1.
What is the InChIKey of 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid?
The InChIKey is MNOAMUQGTQVVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(10(12)13)7-5-11-9(15-3)4-8(7)14-2/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid?
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 84781510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).