5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid

C16H20N2O3 — CID 23336462

IUPAC5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)O
InChIInChI=1S/C16H20N2O3/c1-18(15(19)7-4-8-16(20)21)10-9-12-11-17-14-6-3-2-5-13(12)14/h2-3,5-6,11,17H,4,7-10H2,1H3,(H,20,21)
InChIKeyKSZJQDFKSZSEIW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.42
Rot. Bonds7

About 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid

5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid (PubChem CID 23336462) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
PubChem CID23336462
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)O
InChIInChI=1S/C16H20N2O3/c1-18(15(19)7-4-8-16(20)21)10-9-12-11-17-14-6-3-2-5-13(12)14/h2-3,5-6,11,17H,4,7-10H2,1H3,(H,20,21)
InChIKeyKSZJQDFKSZSEIW-UHFFFAOYSA-N
XLogP2.42
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid (CID 23336462) is 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid is CN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid?
The InChIKey is KSZJQDFKSZSEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(15(19)7-4-8-16(20)21)10-9-12-11-17-14-6-3-2-5-13(12)14/h2-3,5-6,11,17H,4,7-10H2,1H3,(H,20,21).
What are the key properties of 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid?
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 23336462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).