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

C17H22N2O2 — CID 61493986

IUPAC2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CCCN2CCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-17(21)12-14-13-19(16-7-2-1-6-15(14)16)11-5-10-18-8-3-4-9-18/h1-2,6-7,13H,3-5,8-12H2,(H,20,21)
InChIKeyODUAFYLGAZXJOV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds6

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

2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid (PubChem CID 61493986) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
PubChem CID61493986
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CCCN2CCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-17(21)12-14-13-19(16-7-2-1-6-15(14)16)11-5-10-18-8-3-4-9-18/h1-2,6-7,13H,3-5,8-12H2,(H,20,21)
InChIKeyODUAFYLGAZXJOV-UHFFFAOYSA-N
XLogP2.75
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
CID 118726280
2-[1-(3-cyanopropyl)indol-3-yl]acetic acid
CID 28599811
2-(1-but-3-ynylindol-3-yl)acetic acid
CID 63655086
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
CID 71546964
2-[1-(3-methylbut-2-enyl)indol-3-yl]acetic acid
CID 28599761
3-[3-[2-oxo-2-(2-piperidin-1-ylethylamino)acetyl]indol-1-yl]propanoic acid
CID 66739470

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid (CID 61493986) is 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(CCCN2CCCC2)c2ccccc12.
What is the InChIKey of 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
The InChIKey is ODUAFYLGAZXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(21)12-14-13-19(16-7-2-1-6-15(14)16)11-5-10-18-8-3-4-9-18/h1-2,6-7,13H,3-5,8-12H2,(H,20,21).
What are the key properties of 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid?
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid has a molecular weight of 286.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid is sourced from PubChem (CID 61493986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).