methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate

C16H20N2O3 — CID 61383658

IUPACmethyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-4-17(11-16(20)21-3)15(19)10-18-12(2)9-13-7-5-6-8-14(13)18/h5-9H,4,10-11H2,1-3H3
InChIKeyUGWKQHRWIULRDB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate

methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate (PubChem CID 61383658) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate
PubChem CID61383658
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-4-17(11-16(20)21-3)15(19)10-18-12(2)9-13-7-5-6-8-14(13)18/h5-9H,4,10-11H2,1-3H3
InChIKeyUGWKQHRWIULRDB-UHFFFAOYSA-N
XLogP1.97
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate 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 methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate (CID 61383658) is methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate is CCN(CC(=O)OC)C(=O)Cn1c(C)cc2ccccc21.
What is the InChIKey of methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate?
The InChIKey is UGWKQHRWIULRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-17(11-16(20)21-3)15(19)10-18-12(2)9-13-7-5-6-8-14(13)18/h5-9H,4,10-11H2,1-3H3.
What are the key properties of methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate?
methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate has a molecular weight of 288.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 61383658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).