2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid

C16H20N2O3 — CID 119205084

IUPAC2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-2-9-18(12-16(20)21)15(19)8-11-17-10-7-13-5-3-4-6-14(13)17/h3-7,10H,2,8-9,11-12H2,1H3,(H,20,21)
InChIKeyICTNRHWRESCGHU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.35
Rot. Bonds7

About 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid

2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid (PubChem CID 119205084) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
PubChem CID119205084
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-2-9-18(12-16(20)21)15(19)8-11-17-10-7-13-5-3-4-6-14(13)17/h3-7,10H,2,8-9,11-12H2,1H3,(H,20,21)
InChIKeyICTNRHWRESCGHU-UHFFFAOYSA-N
XLogP2.35
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-indol-1-ylpropanoyl(propyl)amino]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-[(2-indol-1-ylacetyl)-propylamino]acetic acid
CID 119205326
N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide
CID 51095546
3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
CID 119191440
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
acetic acid;1-butylindole
CID 162326365
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
CID 18112996
1-indol-1-ylheptan-4-one
CID 142802450
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821181
2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
CID 61022250
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
CID 26286651
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875

Frequently Asked Questions

What is the IUPAC name of 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid (CID 119205084) is 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid?
The InChIKey is ICTNRHWRESCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-9-18(12-16(20)21)15(19)8-11-17-10-7-13-5-3-4-6-14(13)17/h3-7,10H,2,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid?
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid is sourced from PubChem (CID 119205084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).