2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid

C16H18N2O3 — CID 83059198

IUPAC2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H18N2O3/c1-2-16(15(20)21)8-4-10-18(16)14(19)12-5-3-6-13-11(12)7-9-17-13/h3,5-7,9,17H,2,4,8,10H2,1H3,(H,20,21)
InChIKeyFUZLKOJXKYANAG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds3

About 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83059198) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83059198
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H18N2O3/c1-2-16(15(20)21)8-4-10-18(16)14(19)12-5-3-6-13-11(12)7-9-17-13/h3,5-7,9,17H,2,4,8,10H2,1H3,(H,20,21)
InChIKeyFUZLKOJXKYANAG-UHFFFAOYSA-N
XLogP2.64
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 83059198) is 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FUZLKOJXKYANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-16(15(20)21)8-4-10-18(16)14(19)12-5-3-6-13-11(12)7-9-17-13/h3,5-7,9,17H,2,4,8,10H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83059198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).