2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid

C15H18F3NO2 — CID 106987747

IUPAC2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid
SMILESCC1CCC(C(C(=O)O)c2cccc(C(F)(F)F)c2N)C1
InChIInChI=1S/C15H18F3NO2/c1-8-5-6-9(7-8)12(14(20)21)10-3-2-4-11(13(10)19)15(16,17)18/h2-4,8-9,12H,5-7,19H2,1H3,(H,20,21)
InChIKeyVAIULYWNCVFFHJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.89
Rot. Bonds3

About 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid

2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid (PubChem CID 106987747) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid
PubChem CID106987747
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid
SMILESCC1CCC(C(C(=O)O)c2cccc(C(F)(F)F)c2N)C1
InChIInChI=1S/C15H18F3NO2/c1-8-5-6-9(7-8)12(14(20)21)10-3-2-4-11(13(10)19)15(16,17)18/h2-4,8-9,12H,5-7,19H2,1H3,(H,20,21)
InChIKeyVAIULYWNCVFFHJ-UHFFFAOYSA-N
XLogP3.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 175669164
propan-2-yl 2-amino-3-(trifluoromethyl)benzoate
CID 60837934
[2-amino-3-(trifluoromethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18711855
2-[2-amino-3-(trifluoromethyl)phenyl]-2-propylpentanoic acid
CID 106702342
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
2-amino-3-[2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117411854
2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54895164
2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
CID 106987356
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid?
The IUPAC name of 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid (CID 106987747) is 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid.
What is the SMILES notation for 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid?
The canonical SMILES for 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid is CC1CCC(C(C(=O)O)c2cccc(C(F)(F)F)c2N)C1.
What is the InChIKey of 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid?
The InChIKey is VAIULYWNCVFFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-8-5-6-9(7-8)12(14(20)21)10-3-2-4-11(13(10)19)15(16,17)18/h2-4,8-9,12H,5-7,19H2,1H3,(H,20,21).
What are the key properties of 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid?
2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid has a molecular weight of 301.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid is sourced from PubChem (CID 106987747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).