5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid

C15H20N2O2 — CID 115219091

IUPAC5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-17(9-5-4-8-15(18)19)11-12-10-16-14-7-3-2-6-13(12)14/h2-3,6-7,10,16H,4-5,8-9,11H2,1H3,(H,18,19)
InChIKeyRZXLGEXZCSYEQP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.85
Rot. Bonds7

About 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid

5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid (PubChem CID 115219091) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
PubChem CID115219091
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-17(9-5-4-8-15(18)19)11-12-10-16-14-7-3-2-6-13(12)14/h2-3,6-7,10,16H,4-5,8-9,11H2,1H3,(H,18,19)
InChIKeyRZXLGEXZCSYEQP-UHFFFAOYSA-N
XLogP2.85
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-[tert-butyl(1H-indol-3-ylmethyl)amino]propanoic acid
CID 65058425
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1H-indol-3-ol;octadecanoic acid
CID 22916327
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209
N'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
CID 582674
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352

Frequently Asked Questions

What is the IUPAC name of 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid?
The IUPAC name of 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid (CID 115219091) is 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid is CN(CCCCC(=O)O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid?
The InChIKey is RZXLGEXZCSYEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(9-5-4-8-15(18)19)11-12-10-16-14-7-3-2-6-13(12)14/h2-3,6-7,10,16H,4-5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid?
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 115219091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).