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

C17H22N2O3 — CID 91938009

IUPAC2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CC(O)CN2CCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O3/c20-14(11-18-7-3-4-8-18)12-19-10-13(9-17(21)22)15-5-1-2-6-16(15)19/h1-2,5-6,10,14,20H,3-4,7-9,11-12H2,(H,21,22)
InChIKeyVFXXPAORMIDACS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.73
Rot. Bonds6

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

2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid (PubChem CID 91938009) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
PubChem CID91938009
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CC(O)CN2CCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O3/c20-14(11-18-7-3-4-8-18)12-19-10-13(9-17(21)22)15-5-1-2-6-16(15)19/h1-2,5-6,10,14,20H,3-4,7-9,11-12H2,(H,21,22)
InChIKeyVFXXPAORMIDACS-UHFFFAOYSA-N
XLogP1.73
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid (CID 91938009) is 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(CC(O)CN2CCCC2)c2ccccc12.
What is the InChIKey of 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
The InChIKey is VFXXPAORMIDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-14(11-18-7-3-4-8-18)12-19-10-13(9-17(21)22)15-5-1-2-6-16(15)19/h1-2,5-6,10,14,20H,3-4,7-9,11-12H2,(H,21,22).
What are the key properties of 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid is sourced from PubChem (CID 91938009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).