2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid

C15H18F3NO2 — CID 106987548

IUPAC2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid
SMILESCC1CCCC1C(C(=O)O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C15H18F3NO2/c1-8-3-2-4-10(8)13(14(20)21)11-7-9(15(16,17)18)5-6-12(11)19/h5-8,10,13H,2-4,19H2,1H3,(H,20,21)
InChIKeyOESSQMDZBHLNCK-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.89
Rot. Bonds3

About 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid

2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid (PubChem CID 106987548) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid
PubChem CID106987548
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid
SMILESCC1CCCC1C(C(=O)O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C15H18F3NO2/c1-8-3-2-4-10(8)13(14(20)21)11-7-9(15(16,17)18)5-6-12(11)19/h5-8,10,13H,2-4,19H2,1H3,(H,20,21)
InChIKeyOESSQMDZBHLNCK-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-tert-butylphenyl)-2-cyclopropylacetic acid
CID 106987356
2-[2-amino-5-(trifluoromethyl)phenyl]hexanoic acid
CID 106987905
1-[4-[2-amino-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 99770504
2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
CID 106987927
2-[2-amino-5-(trifluoromethyl)phenyl]hept-5-ynoic acid
CID 106988161
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
[2-amino-5-(trifluoromethyl)phenyl]boronic acid
CID 68785619
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
tert-butyl 4-[2-amino-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 154031682
2-(2-amino-5-tert-butylphenyl)-3-cyclopentylpropanoic acid
CID 106988076

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid?
The IUPAC name of 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid (CID 106987548) is 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid.
What is the SMILES notation for 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid?
The canonical SMILES for 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid is CC1CCCC1C(C(=O)O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid?
The InChIKey is OESSQMDZBHLNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-8-3-2-4-10(8)13(14(20)21)11-7-9(15(16,17)18)5-6-12(11)19/h5-8,10,13H,2-4,19H2,1H3,(H,20,21).
What are the key properties of 2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid?
2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-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-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid is sourced from PubChem (CID 106987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).