2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid

C20H22N2O5 — CID 120527790

IUPAC2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2cccc(OCc3cccnc3)c2)CCO1
InChIInChI=1S/C20H22N2O5/c23-19(22-7-8-26-18(13-22)11-20(24)25)10-15-3-1-5-17(9-15)27-14-16-4-2-6-21-12-16/h1-6,9,12,18H,7-8,10-11,13-14H2,(H,24,25)
InChIKeyBJIOTJFETIZFEA-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.91
Rot. Bonds7

About 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid

2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid (PubChem CID 120527790) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
PubChem CID120527790
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2cccc(OCc3cccnc3)c2)CCO1
InChIInChI=1S/C20H22N2O5/c23-19(22-7-8-26-18(13-22)11-20(24)25)10-15-3-1-5-17(9-15)27-14-16-4-2-6-21-12-16/h1-6,9,12,18H,7-8,10-11,13-14H2,(H,24,25)
InChIKeyBJIOTJFETIZFEA-UHFFFAOYSA-N
XLogP1.91
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid (CID 120527790) is 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)Cc2cccc(OCc3cccnc3)c2)CCO1.
What is the InChIKey of 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
The InChIKey is BJIOTJFETIZFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-19(22-7-8-26-18(13-22)11-20(24)25)10-15-3-1-5-17(9-15)27-14-16-4-2-6-21-12-16/h1-6,9,12,18H,7-8,10-11,13-14H2,(H,24,25).
What are the key properties of 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).