2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid

C14H19NO3 — CID 82383060

IUPAC2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid
SMILESCOc1ccc(C(C(=O)O)C2CCN(C)C2)cc1
InChIInChI=1S/C14H19NO3/c1-15-8-7-11(9-15)13(14(16)17)10-3-5-12(18-2)6-4-10/h3-6,11,13H,7-9H2,1-2H3,(H,16,17)
InChIKeyCEJMCAKWBJOCCD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid

2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid (PubChem CID 82383060) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid
PubChem CID82383060
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid
SMILESCOc1ccc(C(C(=O)O)C2CCN(C)C2)cc1
InChIInChI=1S/C14H19NO3/c1-15-8-7-11(9-15)13(14(16)17)10-3-5-12(18-2)6-4-10/h3-6,11,13H,7-9H2,1-2H3,(H,16,17)
InChIKeyCEJMCAKWBJOCCD-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)butan-1-one
CID 110023554
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 60857089
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
2,3-dihydroxybutanedioic acid;4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 23319406
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid (CID 82383060) is 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid is COc1ccc(C(C(=O)O)C2CCN(C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid?
The InChIKey is CEJMCAKWBJOCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-8-7-11(9-15)13(14(16)17)10-3-5-12(18-2)6-4-10/h3-6,11,13H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid?
2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 82383060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).