3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid

C12H14F3NO3 — CID 65236587

IUPAC3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid
SMILESCCNC(CC(=O)O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-2-16-9(7-11(17)18)8-5-3-4-6-10(8)19-12(13,14)15/h3-6,9,16H,2,7H2,1H3,(H,17,18)
InChIKeyWAQVEMXCDALXNP-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.71
Rot. Bonds6

About 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid

3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 65236587) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID65236587
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid
SMILESCCNC(CC(=O)O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-2-16-9(7-11(17)18)8-5-3-4-6-10(8)19-12(13,14)15/h3-6,9,16H,2,7H2,1H3,(H,17,18)
InChIKeyWAQVEMXCDALXNP-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 63651895
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
3,4-dihydroxy-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 171878259
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 83042460
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid (CID 65236587) is 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid is CCNC(CC(=O)O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is WAQVEMXCDALXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-16-9(7-11(17)18)8-5-3-4-6-10(8)19-12(13,14)15/h3-6,9,16H,2,7H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid?
3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 277.24 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 65236587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).