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

C11H9F3N2O2 — CID 115073468

IUPAC2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
SMILESNC(C(=O)O)c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-5-6(4-16-9(5)7)8(15)10(17)18/h1-4,8,16H,15H2,(H,17,18)
InChIKeyGRCLFSPZMJFXFV-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.27
Rot. Bonds2

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

2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid (PubChem CID 115073468) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
PubChem CID115073468
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
SMILESNC(C(=O)O)c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-5-6(4-16-9(5)7)8(15)10(17)18/h1-4,8,16H,15H2,(H,17,18)
InChIKeyGRCLFSPZMJFXFV-UHFFFAOYSA-N
XLogP2.27
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
2-amino-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073427
5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
CID 136986130
[(1S)-1-carboxy-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]azanium;2,2,2-trifluoroacetate
CID 164775571
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-[7-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451418
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
CID 92855801
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
CID 84632317
2-amino-2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]acetic acid
CID 84705009

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid (CID 115073468) is 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid is NC(C(=O)O)c1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The InChIKey is GRCLFSPZMJFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-5-6(4-16-9(5)7)8(15)10(17)18/h1-4,8,16H,15H2,(H,17,18).
What are the key properties of 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid has a molecular weight of 258.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 115073468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).