2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid

C14H15F3N2O2 — CID 115072108

IUPAC2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
SMILESCC(C)n1c(C(N)C(=O)O)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H15F3N2O2/c1-7(2)19-10-4-3-9(14(15,16)17)5-8(10)6-11(19)12(18)13(20)21/h3-7,12H,18H2,1-2H3,(H,20,21)
InChIKeyYZSCOTNJMQNHDB-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.33
Rot. Bonds3

About 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid

2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid (PubChem CID 115072108) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
PubChem CID115072108
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
SMILESCC(C)n1c(C(N)C(=O)O)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H15F3N2O2/c1-7(2)19-10-4-3-9(14(15,16)17)5-8(10)6-11(19)12(18)13(20)21/h3-7,12H,18H2,1-2H3,(H,20,21)
InChIKeyYZSCOTNJMQNHDB-UHFFFAOYSA-N
XLogP3.33
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]butanoic acid
CID 117121481
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
CID 117121465
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
CID 115072151
2-amino-2-[1-ethyl-2-methyl-6-(trifluoromethyl)indol-3-yl]acetic acid
CID 115073063
1-[1-propan-2-yl-6-(trifluoromethyl)indol-2-yl]propan-2-one
CID 117195786
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
2-[6-(trifluoromethyl)indol-1-yl]propanoic acid
CID 123394835
2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
CID 115072156
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121456

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid (CID 115072108) is 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid is CC(C)n1c(C(N)C(=O)O)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid?
The InChIKey is YZSCOTNJMQNHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-7(2)19-10-4-3-9(14(15,16)17)5-8(10)6-11(19)12(18)13(20)21/h3-7,12H,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid?
2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid has a molecular weight of 300.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid is sourced from PubChem (CID 115072108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).