2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid

C17H22N2O4 — CID 118726282

IUPAC2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CC(O)CN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H22N2O4/c20-14(11-18-5-7-23-8-6-18)12-19-10-13(9-17(21)22)15-3-1-2-4-16(15)19/h1-4,10,14,20H,5-9,11-12H2,(H,21,22)
InChIKeyJHYRCHZGDMGSLM-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid

2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid (PubChem CID 118726282) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid
PubChem CID118726282
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CC(O)CN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H22N2O4/c20-14(11-18-5-7-23-8-6-18)12-19-10-13(9-17(21)22)15-3-1-2-4-16(15)19/h1-4,10,14,20H,5-9,11-12H2,(H,21,22)
InChIKeyJHYRCHZGDMGSLM-UHFFFAOYSA-N
XLogP0.96
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid (CID 118726282) is 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(CC(O)CN2CCOCC2)c2ccccc12.
What is the InChIKey of 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid?
The InChIKey is JHYRCHZGDMGSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-14(11-18-5-7-23-8-6-18)12-19-10-13(9-17(21)22)15-3-1-2-4-16(15)19/h1-4,10,14,20H,5-9,11-12H2,(H,21,22).
What are the key properties of 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid?
2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]acetic acid is sourced from PubChem (CID 118726282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).