2-(5-methoxy-2-pyridinyl)propanoic acid

C9H11NO3 — CID 82654412

IUPAC2-(5-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)nc1
InChIInChI=1S/C9H11NO3/c1-6(9(11)12)8-4-3-7(13-2)5-10-8/h3-6H,1-2H3,(H,11,12)
InChIKeyNJHDLCNHOXAJII-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.28
Rot. Bonds3

About 2-(5-methoxy-2-pyridinyl)propanoic acid

2-(5-methoxy-2-pyridinyl)propanoic acid (PubChem CID 82654412) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)propanoic acid
PubChem CID82654412
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(5-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)nc1
InChIInChI=1S/C9H11NO3/c1-6(9(11)12)8-4-3-7(13-2)5-10-8/h3-6H,1-2H3,(H,11,12)
InChIKeyNJHDLCNHOXAJII-UHFFFAOYSA-N
XLogP1.28
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 153367928
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
CID 106505344
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
2-(5-phenoxy-2-pyridinyl)propanamide
CID 164734618
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
[(4R)-4-(5-methoxy-2-pyridinyl)-2-methylpentan-2-yl]-oxosulfanium
CID 174573563
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)propanoic acid (CID 82654412) is 2-(5-methoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)propanoic acid is COc1ccc(C(C)C(=O)O)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)propanoic acid?
The InChIKey is NJHDLCNHOXAJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(9(11)12)8-4-3-7(13-2)5-10-8/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2-(5-methoxy-2-pyridinyl)propanoic acid?
2-(5-methoxy-2-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 82654412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).