4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid

C15H21NO3 — CID 119137597

IUPAC4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
SMILESCOc1ccccc1C1CCN(CCCC(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-19-14-6-3-2-5-13(14)12-8-10-16(11-12)9-4-7-15(17)18/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)
InChIKeyYPVHGJZTOLGTHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.35
Rot. Bonds6

About 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid

4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid (PubChem CID 119137597) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
PubChem CID119137597
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
SMILESCOc1ccccc1C1CCN(CCCC(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-19-14-6-3-2-5-13(14)12-8-10-16(11-12)9-4-7-15(17)18/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)
InChIKeyYPVHGJZTOLGTHY-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
methyl (1R,5S)-6-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 56884534
3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 56993017
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
CID 75482891
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid (CID 119137597) is 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid is COc1ccccc1C1CCN(CCCC(=O)O)C1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid?
The InChIKey is YPVHGJZTOLGTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-6-3-2-5-13(14)12-8-10-16(11-12)9-4-7-15(17)18/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18).
What are the key properties of 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid?
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 119137597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).