2-[(2-indol-1-ylacetyl)-propylamino]acetic acid

C15H18N2O3 — CID 119205326

IUPAC2-[(2-indol-1-ylacetyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1ccc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-8-17(11-15(19)20)14(18)10-16-9-7-12-5-3-4-6-13(12)16/h3-7,9H,2,8,10-11H2,1H3,(H,19,20)
InChIKeyASBSCCHTUOUYKY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds6

About 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid

2-[(2-indol-1-ylacetyl)-propylamino]acetic acid (PubChem CID 119205326) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-indol-1-ylacetyl)-propylamino]acetic acid
PubChem CID119205326
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(2-indol-1-ylacetyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1ccc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-8-17(11-15(19)20)14(18)10-16-9-7-12-5-3-4-6-13(12)16/h3-7,9H,2,8,10-11H2,1H3,(H,19,20)
InChIKeyASBSCCHTUOUYKY-UHFFFAOYSA-N
XLogP1.96
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-indol-1-ylacetyl)-propylamino]acetic 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

2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
CID 119191440
N-ethyl-2-indol-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 110702427
2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride
CID 6602912
2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
CID 119209301
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propylamino]acetic acid
CID 61008473
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
ethane;2-indol-1-ylacetic acid;methanesulfonamide
CID 90844595
N-(2-hydroxyethyl)-2-indol-1-yl-N-[(2-methoxyphenyl)methyl]acetamide
CID 110907472
acetic acid;1-butylindole
CID 162326365
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
potassium 2-indol-1-ylacetate
CID 172851034

Frequently Asked Questions

What is the IUPAC name of 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid (CID 119205326) is 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cn1ccc2ccccc21.
What is the InChIKey of 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid?
The InChIKey is ASBSCCHTUOUYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-8-17(11-15(19)20)14(18)10-16-9-7-12-5-3-4-6-13(12)16/h3-7,9H,2,8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid?
2-[(2-indol-1-ylacetyl)-propylamino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-indol-1-ylacetyl)-propylamino]acetic acid is sourced from PubChem (CID 119205326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).