1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid

C16H20N2O3 — CID 118726277

IUPAC1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(CC(O)CN2CCCC2)c2ccccc12
InChIInChI=1S/C16H20N2O3/c19-12(9-17-7-3-4-8-17)10-18-11-14(16(20)21)13-5-1-2-6-15(13)18/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,21)
InChIKeyZIVMVDLFRZESTI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.80
Rot. Bonds5

About 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid

1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid (PubChem CID 118726277) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid
PubChem CID118726277
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(CC(O)CN2CCCC2)c2ccccc12
InChIInChI=1S/C16H20N2O3/c19-12(9-17-7-3-4-8-17)10-18-11-14(16(20)21)13-5-1-2-6-15(13)18/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,21)
InChIKeyZIVMVDLFRZESTI-UHFFFAOYSA-N
XLogP1.80
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid (CID 118726277) is 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid is O=C(O)c1cn(CC(O)CN2CCCC2)c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid?
The InChIKey is ZIVMVDLFRZESTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-12(9-17-7-3-4-8-17)10-18-11-14(16(20)21)13-5-1-2-6-15(13)18/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,21).
What are the key properties of 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid?
1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carboxylic acid is sourced from PubChem (CID 118726277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).