3-(2-methoxy-4-pyridinyl)propanoic acid

C9H11NO3 — CID 14223475

IUPAC3-(2-methoxy-4-pyridinyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)ccn1
InChIInChI=1S/C9H11NO3/c1-13-8-6-7(4-5-10-8)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyUIRMZWVSXQGAQI-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.11
Rot. Bonds4

About 3-(2-methoxy-4-pyridinyl)propanoic acid

3-(2-methoxy-4-pyridinyl)propanoic acid (PubChem CID 14223475) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)propanoic acid
PubChem CID14223475
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(2-methoxy-4-pyridinyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)ccn1
InChIInChI=1S/C9H11NO3/c1-13-8-6-7(4-5-10-8)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyUIRMZWVSXQGAQI-UHFFFAOYSA-N
XLogP1.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxynicotinic acid
CID 592499
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
Methyl 6-methoxypyridine-3-carboxylate
CID 586039
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
2-(Difluoromethoxy)isonicotinic acid
CID 68050402
8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic acid methyl ester
CID 11674387
2-Methoxyisonicotinic Acid
CID 819942
3-(6-Phenoxy-pyridin-3-yl)-acrylic acid
CID 2797743
1-(6-Methoxypyridin-3-yl)propan-2-one
CID 19760371
Pyridine, 2-methoxy-5-methyl-
CID 3014746
Methyl 2-methoxyisonicotinate
CID 14223465

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)propanoic acid (CID 14223475) is 3-(2-methoxy-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)propanoic acid is COc1cc(CCC(=O)O)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)propanoic acid?
The InChIKey is UIRMZWVSXQGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-8-6-7(4-5-10-8)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(2-methoxy-4-pyridinyl)propanoic acid?
3-(2-methoxy-4-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)propanoic acid is sourced from PubChem (CID 14223475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).