3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid

C17H25NO4 — CID 117238314

IUPAC3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
SMILESCOc1ccccc1OCC(C(=O)O)C1CCN(C(C)C)C1
InChIInChI=1S/C17H25NO4/c1-12(2)18-9-8-13(10-18)14(17(19)20)11-22-16-7-5-4-6-15(16)21-3/h4-7,12-14H,8-11H2,1-3H3,(H,19,20)
InChIKeyVCXSKXYWRINYRN-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.51
Rot. Bonds7

About 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid

3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid (PubChem CID 117238314) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
PubChem CID117238314
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
SMILESCOc1ccccc1OCC(C(=O)O)C1CCN(C(C)C)C1
InChIInChI=1S/C17H25NO4/c1-12(2)18-9-8-13(10-18)14(17(19)20)11-22-16-7-5-4-6-15(16)21-3/h4-7,12-14H,8-11H2,1-3H3,(H,19,20)
InChIKeyVCXSKXYWRINYRN-UHFFFAOYSA-N
XLogP2.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
methyl 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoate
CID 117238376
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
4-(2-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546673
2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
CID 117245713
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid?
The IUPAC name of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid (CID 117238314) is 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid is COc1ccccc1OCC(C(=O)O)C1CCN(C(C)C)C1.
What is the InChIKey of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid?
The InChIKey is VCXSKXYWRINYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)18-9-8-13(10-18)14(17(19)20)11-22-16-7-5-4-6-15(16)21-3/h4-7,12-14H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid?
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 117238314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).