2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid

C14H19NO3 — CID 117376272

IUPAC2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
SMILESCOc1ccc(N2CCCC2)cc1C(C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-10(14(16)17)12-9-11(5-6-13(12)18-2)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyIYLCPAHRFCUYSD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid

2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid (PubChem CID 117376272) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
PubChem CID117376272
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
SMILESCOc1ccc(N2CCCC2)cc1C(C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-10(14(16)17)12-9-11(5-6-13(12)18-2)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyIYLCPAHRFCUYSD-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 117473385
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
3-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanoic acid
CID 117444495
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
2-cyclopropyl-N-(2-methoxy-5-piperidin-1-ylphenyl)propanamide
CID 110613175
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine
CID 168513361
2-(4-methoxy-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 83953350
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid (CID 117376272) is 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid is COc1ccc(N2CCCC2)cc1C(C)C(=O)O.
What is the InChIKey of 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid?
The InChIKey is IYLCPAHRFCUYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(14(16)17)12-9-11(5-6-13(12)18-2)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid?
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 117376272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).