3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid

C10H10F3NO3 — CID 53441902

IUPAC3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKeyHRVRMAVSOHOUST-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid

3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 53441902) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID53441902
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKeyHRVRMAVSOHOUST-UHFFFAOYSA-N
XLogP2.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
3,4-dihydroxy-4-[3-(trifluoromethoxy)phenyl]butanoic acid
CID 171878263
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
3-amino-3-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 135366687
(3S)-3-amino-3-[3-bromo-5-(trifluoromethoxy)phenyl]propanoic acid;hydrochloride
CID 130177162
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
3-(diethylamino)-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107105235
1-[3-[(1S)-1-amino-2-carboxyethyl]phenyl]-6-(trifluoromethoxy)indole-2-carboxylic acid
CID 170751205

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid (CID 53441902) is 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid is NC(CC(=O)O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is HRVRMAVSOHOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16).
What are the key properties of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 53441902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).