2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid

C12H11F3N2O2 — CID 170880213

IUPAC2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
SMILESNC(Cc1cc2cccc(C(F)(F)F)c2[nH]1)C(=O)O
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)8-3-1-2-6-4-7(17-10(6)8)5-9(16)11(18)19/h1-4,9,17H,5,16H2,(H,18,19)
InChIKeyUHUOPOAYYZWXJL-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid

2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid (PubChem CID 170880213) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
PubChem CID170880213
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
SMILESNC(Cc1cc2cccc(C(F)(F)F)c2[nH]1)C(=O)O
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)8-3-1-2-6-4-7(17-10(6)8)5-9(16)11(18)19/h1-4,9,17H,5,16H2,(H,18,19)
InChIKeyUHUOPOAYYZWXJL-UHFFFAOYSA-N
XLogP2.14
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid 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

lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate
CID 68638559
2-amino-3-(6-fluoro-7-methyl-1H-indol-2-yl)propanoic acid
CID 154726392
2-amino-3-[4-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451545
2-amino-3-[2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117411854
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 170879844
methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
CID 170884501
(2S)-2-amino-3-[5-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 93478155
2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84640250
2-amino-3-[2,5-dihydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117416529
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid (CID 170880213) is 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid is NC(Cc1cc2cccc(C(F)(F)F)c2[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
The InChIKey is UHUOPOAYYZWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)8-3-1-2-6-4-7(17-10(6)8)5-9(16)11(18)19/h1-4,9,17H,5,16H2,(H,18,19).
What are the key properties of 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid has a molecular weight of 272.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid is sourced from PubChem (CID 170880213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).