3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid

C15H18N2O3 — CID 119191440

IUPAC3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1ccc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-16(10-8-15(19)20)14(18)11-17-9-7-12-5-3-4-6-13(12)17/h3-7,9H,2,8,10-11H2,1H3,(H,19,20)
InChIKeyCKQNMHSVUOJRDB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds6

About 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid

3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid (PubChem CID 119191440) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
PubChem CID119191440
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1ccc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-16(10-8-15(19)20)14(18)11-17-9-7-12-5-3-4-6-13(12)17/h3-7,9H,2,8,10-11H2,1H3,(H,19,20)
InChIKeyCKQNMHSVUOJRDB-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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid (CID 119191440) is 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cn1ccc2ccccc21.
What is the InChIKey of 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid?
The InChIKey is CKQNMHSVUOJRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-16(10-8-15(19)20)14(18)11-17-9-7-12-5-3-4-6-13(12)17/h3-7,9H,2,8,10-11H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid?
3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic 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 3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 119191440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).