(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid

C20H23NO5 — CID 97205564

IUPAC(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid
SMILESCOc1ccc(OC2CCN([C@H](C(=O)O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C20H23NO5/c1-25-16-5-7-17(8-6-16)26-18-9-11-21(12-10-18)19(20(23)24)14-3-2-4-15(22)13-14/h2-8,13,18-19,22H,9-12H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyLGGPLNRHOFAJMZ-IBGZPJMESA-N
MW357.41 g/mol
LogP3.07
Rot. Bonds6

About (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid

(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid (PubChem CID 97205564) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid
PubChem CID97205564
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid
SMILESCOc1ccc(OC2CCN([C@H](C(=O)O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C20H23NO5/c1-25-16-5-7-17(8-6-16)26-18-9-11-21(12-10-18)19(20(23)24)14-3-2-4-15(22)13-14/h2-8,13,18-19,22H,9-12H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyLGGPLNRHOFAJMZ-IBGZPJMESA-N
XLogP3.07
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid?
The IUPAC name of (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid (CID 97205564) is (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid?
The canonical SMILES for (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid is COc1ccc(OC2CCN([C@H](C(=O)O)c3cccc(O)c3)CC2)cc1.
What is the InChIKey of (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid?
The InChIKey is LGGPLNRHOFAJMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO5/c1-25-16-5-7-17(8-6-16)26-18-9-11-21(12-10-18)19(20(23)24)14-3-2-4-15(22)13-14/h2-8,13,18-19,22H,9-12H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid?
(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid is sourced from PubChem (CID 97205564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).