2-methoxy-2-pyridin-4-ylpropanoic acid

C9H11NO3 — CID 82236563

IUPAC2-methoxy-2-pyridin-4-ylpropanoic acid
SMILESCOC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C9H11NO3/c1-9(13-2,8(11)12)7-3-5-10-6-4-7/h3-6H,1-2H3,(H,11,12)
InChIKeyVDBBERQJXSNMDC-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.03
Rot. Bonds3

About 2-methoxy-2-pyridin-4-ylpropanoic acid

2-methoxy-2-pyridin-4-ylpropanoic acid (PubChem CID 82236563) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methoxy-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-methoxy-2-pyridin-4-ylpropanoic acid
PubChem CID82236563
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-methoxy-2-pyridin-4-ylpropanoic acid
SMILESCOC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C9H11NO3/c1-9(13-2,8(11)12)7-3-5-10-6-4-7/h3-6H,1-2H3,(H,11,12)
InChIKeyVDBBERQJXSNMDC-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229
methyl carbamate;2-pyridin-4-ylpropan-2-ylcarbamic acid
CID 175714580
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
methyl (3S)-3-amino-3-pyridin-4-ylbutanoate
CID 97049448
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
4-tert-butylpyridine;formic acid
CID 174881162

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-methoxy-2-pyridin-4-ylpropanoic acid (CID 82236563) is 2-methoxy-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-methoxy-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-methoxy-2-pyridin-4-ylpropanoic acid is COC(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-methoxy-2-pyridin-4-ylpropanoic acid?
The InChIKey is VDBBERQJXSNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-9(13-2,8(11)12)7-3-5-10-6-4-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2-methoxy-2-pyridin-4-ylpropanoic acid?
2-methoxy-2-pyridin-4-ylpropanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 82236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).