3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid

C17H21N3O3 — CID 91165226

IUPAC3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid
SMILESCN(C)C(=O)Cn1cc(C2CCN(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-18(2)16(21)11-20-10-14(13-5-3-4-6-15(13)20)12-7-8-19(9-12)17(22)23/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)
InChIKeyAEMNJLKAMKGHNH-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.20
Rot. Bonds3

About 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid

3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid (PubChem CID 91165226) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid
PubChem CID91165226
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid
SMILESCN(C)C(=O)Cn1cc(C2CCN(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-18(2)16(21)11-20-10-14(13-5-3-4-6-15(13)20)12-7-8-19(9-12)17(22)23/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)
InChIKeyAEMNJLKAMKGHNH-UHFFFAOYSA-N
XLogP2.20
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid (CID 91165226) is 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid is CN(C)C(=O)Cn1cc(C2CCN(C(=O)O)C2)c2ccccc21.
What is the InChIKey of 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is AEMNJLKAMKGHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18(2)16(21)11-20-10-14(13-5-3-4-6-15(13)20)12-7-8-19(9-12)17(22)23/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23).
What are the key properties of 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid?
3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91165226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).