2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid

C14H16F3NO3 — CID 106987927

IUPAC2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
SMILESNc1ccc(OC(F)(F)F)cc1C(C(=O)O)C1CCCC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)21-9-5-6-11(18)10(7-9)12(13(19)20)8-3-1-2-4-8/h5-8,12H,1-4,18H2,(H,19,20)
InChIKeyDJZZBSSQGBFXKM-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid

2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid (PubChem CID 106987927) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
PubChem CID106987927
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
SMILESNc1ccc(OC(F)(F)F)cc1C(C(=O)O)C1CCCC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)21-9-5-6-11(18)10(7-9)12(13(19)20)8-3-1-2-4-8/h5-8,12H,1-4,18H2,(H,19,20)
InChIKeyDJZZBSSQGBFXKM-UHFFFAOYSA-N
XLogP3.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
CID 106987644
2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
CID 106987356
2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210144
2-[2-amino-5-(trifluoromethoxy)phenyl]hept-5-ynoic acid
CID 106988154
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171269839
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
CID 106987726
2-(1-aminopropyl)-4-(trifluoromethoxy)aniline
CID 112541231
2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid
CID 106987548
2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170998128

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid?
The IUPAC name of 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid (CID 106987927) is 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid.
What is the SMILES notation for 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid?
The canonical SMILES for 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid is Nc1ccc(OC(F)(F)F)cc1C(C(=O)O)C1CCCC1.
What is the InChIKey of 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid?
The InChIKey is DJZZBSSQGBFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)21-9-5-6-11(18)10(7-9)12(13(19)20)8-3-1-2-4-8/h5-8,12H,1-4,18H2,(H,19,20).
What are the key properties of 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid?
2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid has a molecular weight of 303.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid is sourced from PubChem (CID 106987927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).