2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid

C14H16N2O3 — CID 119209301

IUPAC2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cn1ccc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-10(14(18)19)15(2)13(17)9-16-8-7-11-5-3-4-6-12(11)16/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeySHBVQVZMTOTSEN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.57
Rot. Bonds4

About 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid

2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid (PubChem CID 119209301) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
PubChem CID119209301
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cn1ccc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-10(14(18)19)15(2)13(17)9-16-8-7-11-5-3-4-6-12(11)16/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeySHBVQVZMTOTSEN-UHFFFAOYSA-N
XLogP1.57
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid (CID 119209301) is 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)Cn1ccc2ccccc21.
What is the InChIKey of 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid?
The InChIKey is SHBVQVZMTOTSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(14(18)19)15(2)13(17)9-16-8-7-11-5-3-4-6-12(11)16/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid?
2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.57, 4 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)-methylamino]propanoic acid is sourced from PubChem (CID 119209301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).