2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid

C15H21NO5 — CID 117475980

IUPAC2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
SMILESCOc1cc(C(O)C(=O)O)ccc1OC1CCN(C)CC1
InChIInChI=1S/C15H21NO5/c1-16-7-5-11(6-8-16)21-12-4-3-10(9-13(12)20-2)14(17)15(18)19/h3-4,9,11,14,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyMEBVQJLIGLKJKQ-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.29
Rot. Bonds5

About 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid

2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid (PubChem CID 117475980) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
PubChem CID117475980
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
SMILESCOc1cc(C(O)C(=O)O)ccc1OC1CCN(C)CC1
InChIInChI=1S/C15H21NO5/c1-16-7-5-11(6-8-16)21-12-4-3-10(9-13(12)20-2)14(17)15(18)19/h3-4,9,11,14,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyMEBVQJLIGLKJKQ-UHFFFAOYSA-N
XLogP1.29
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117494142
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
3-amino-2-(4-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117381015
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid (CID 117475980) is 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid is COc1cc(C(O)C(=O)O)ccc1OC1CCN(C)CC1.
What is the InChIKey of 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid?
The InChIKey is MEBVQJLIGLKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-16-7-5-11(6-8-16)21-12-4-3-10(9-13(12)20-2)14(17)15(18)19/h3-4,9,11,14,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid?
2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid has a molecular weight of 295.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 117475980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).