1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid

C15H20N2O3 — CID 62837015

IUPAC1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-4-16-15(2,3)14(20)17-11-8-6-5-7-10(11)9-12(17)13(18)19/h5-8,12,16H,4,9H2,1-3H3,(H,18,19)
InChIKeyUXRUTLPUCOIUDP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 62837015) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID62837015
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-4-16-15(2,3)14(20)17-11-8-6-5-7-10(11)9-12(17)13(18)19/h5-8,12,16H,4,9H2,1-3H3,(H,18,19)
InChIKeyUXRUTLPUCOIUDP-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 62837015) is 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid is CCNC(C)(C)C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is UXRUTLPUCOIUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-16-15(2,3)14(20)17-11-8-6-5-7-10(11)9-12(17)13(18)19/h5-8,12,16H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 62837015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).