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

C10H10F3NO3 — CID 106987644

IUPAC2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(OC(F)(F)F)ccc1N
InChIInChI=1S/C10H10F3NO3/c1-5(9(15)16)7-4-6(2-3-8(7)14)17-10(11,12)13/h2-5H,14H2,1H3,(H,15,16)
InChIKeyLGRFODAXRWDAJN-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.36
Rot. Bonds3

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

2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 106987644) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID106987644
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(OC(F)(F)F)ccc1N
InChIInChI=1S/C10H10F3NO3/c1-5(9(15)16)7-4-6(2-3-8(7)14)17-10(11,12)13/h2-5H,14H2,1H3,(H,15,16)
InChIKeyLGRFODAXRWDAJN-UHFFFAOYSA-N
XLogP2.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.36
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]-2-cyclopentylacetic acid
CID 106987927
2-[2-amino-5-(trifluoromethoxy)phenyl]hept-5-ynoic acid
CID 106988154
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-(1-amino-3-methylbutyl)-4-(trifluoromethoxy)aniline
CID 83988086
2-(1-aminopropyl)-4-(trifluoromethoxy)aniline
CID 112541231
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid (CID 106987644) is 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid is CC(C(=O)O)c1cc(OC(F)(F)F)ccc1N.
What is the InChIKey of 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is LGRFODAXRWDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-5(9(15)16)7-4-6(2-3-8(7)14)17-10(11,12)13/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid?
2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 2.36, 3 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]propanoic acid is sourced from PubChem (CID 106987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).