ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate

C18H20N2O4 — CID 135021331

IUPACethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCCC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)13(10-17(22)20-9-5-8-16(20)21)14-11-19-15-7-4-3-6-12(14)15/h3-4,6-7,11,13,19H,2,5,8-10H2,1H3
InChIKeyCJWJYCONLVQFKG-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate

ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate (PubChem CID 135021331) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate
PubChem CID135021331
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCCC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)13(10-17(22)20-9-5-8-16(20)21)14-11-19-15-7-4-3-6-12(14)15/h3-4,6-7,11,13,19H,2,5,8-10H2,1H3
InChIKeyCJWJYCONLVQFKG-UHFFFAOYSA-N
XLogP2.35
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indole-3-Acetic Acid
CID 802
Bq-123
CID 443289
Methyl indole-3-acetate
CID 74706
Pf-06840003
CID 23063810
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
Su5402
CID 5289418
5-Fluoroindole-3-acetic acid
CID 96750
Indole-3-acetyl-L-leucine
CID 3945661
(S)-3-(5-Fluoro-1H-indol-3-YL)pyrrolidine-2,5-dione
CID 118511968
(R)-3-(5-Fluoro-1H-indol-3-YL)pyrrolidine-2,5-dione
CID 118512017
l-Pyroglutamyl-l-glutaminyl-l-tryptophan
CID 446809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate (CID 135021331) is ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate is CCOC(=O)C(CC(=O)N1CCCC1=O)c1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
The InChIKey is CJWJYCONLVQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-18(23)13(10-17(22)20-9-5-8-16(20)21)14-11-19-15-7-4-3-6-12(14)15/h3-4,6-7,11,13,19H,2,5,8-10H2,1H3.
What are the key properties of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate has a molecular weight of 328.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate is sourced from PubChem (CID 135021331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).