2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid

C14H20N2O4 — CID 117450060

IUPAC2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
SMILESCOc1ccc(C(N)C(=O)O)cc1OC1CCN(C)C1
InChIInChI=1S/C14H20N2O4/c1-16-6-5-10(8-16)20-12-7-9(13(15)14(17)18)3-4-11(12)19-2/h3-4,7,10,13H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyQWEFIZIIBNEZEZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid

2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid (PubChem CID 117450060) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
PubChem CID117450060
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
SMILESCOc1ccc(C(N)C(=O)O)cc1OC1CCN(C)C1
InChIInChI=1S/C14H20N2O4/c1-16-6-5-10(8-16)20-12-7-9(13(15)14(17)18)3-4-11(12)19-2/h3-4,7,10,13H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyQWEFIZIIBNEZEZ-UHFFFAOYSA-N
XLogP0.86
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117458481
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
3-amino-3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493374
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
2-amino-2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]acetic acid
CID 117429830
3-amino-2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117450025
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373
2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
CID 117475980
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid (CID 117450060) is 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid is COc1ccc(C(N)C(=O)O)cc1OC1CCN(C)C1.
What is the InChIKey of 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid?
The InChIKey is QWEFIZIIBNEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16-6-5-10(8-16)20-12-7-9(13(15)14(17)18)3-4-11(12)19-2/h3-4,7,10,13H,5-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid?
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 117450060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).