2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid

C15H21NO3 — CID 105346064

IUPAC2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
SMILESCOCC1CCN(Cc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C15H21NO3/c1-19-11-14-6-7-16(10-14)9-13-4-2-12(3-5-13)8-15(17)18/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyUFVYWMLEIRBZAU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid

2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid (PubChem CID 105346064) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
PubChem CID105346064
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
SMILESCOCC1CCN(Cc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C15H21NO3/c1-19-11-14-6-7-16(10-14)9-13-4-2-12(3-5-13)8-15(17)18/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyUFVYWMLEIRBZAU-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 105346215
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-[4-chloro-2-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 99933372
N-[[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propan-1-amine
CID 64583399
[2-methoxy-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 64599663
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
2-fluoro-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107880844
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid (CID 105346064) is 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid is COCC1CCN(Cc2ccc(CC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid?
The InChIKey is UFVYWMLEIRBZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-11-14-6-7-16(10-14)9-13-4-2-12(3-5-13)8-15(17)18/h2-5,14H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid?
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 105346064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).