ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate

C13H13F3N2O2 — CID 115073299

IUPACethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
SMILESCCOC(=O)C(N)c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3N2O2/c1-2-20-12(19)10(17)8-6-18-11-7(8)4-3-5-9(11)13(14,15)16/h3-6,10,18H,2,17H2,1H3
InChIKeySUOGMQBOUSBNOG-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.75
Rot. Bonds3

About ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate

ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate (PubChem CID 115073299) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
PubChem CID115073299
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Nameethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
SMILESCCOC(=O)C(N)c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3N2O2/c1-2-20-12(19)10(17)8-6-18-11-7(8)4-3-5-9(11)13(14,15)16/h3-6,10,18H,2,17H2,1H3
InChIKeySUOGMQBOUSBNOG-UHFFFAOYSA-N
XLogP2.75
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate 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-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073468
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 78166336
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
ethyl (3S)-3-amino-2-fluoro-3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171249008
ethyl 2-[3-methyl-7-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072793
ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
CID 102584302
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
ethyl (3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoropropanoate
CID 171242809
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate (CID 115073299) is ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate is CCOC(=O)C(N)c1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate?
The InChIKey is SUOGMQBOUSBNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-20-12(19)10(17)8-6-18-11-7(8)4-3-5-9(11)13(14,15)16/h3-6,10,18H,2,17H2,1H3.
What are the key properties of ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate?
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate has a molecular weight of 286.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 115073299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).