2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid

C11H12F3NO3 — CID 146661615

IUPAC2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid
SMILESCC(N)(C(=O)O)C(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-10(15,9(17)18)8(11(12,13)14)6-2-4-7(16)5-3-6/h2-5,8,16H,15H2,1H3,(H,17,18)
InChIKeyLRVWFJRTHXVQBY-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid

2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid (PubChem CID 146661615) has the molecular formula C11H12F3NO3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid
PubChem CID146661615
Molecular FormulaC11H12F3NO3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Name2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid
SMILESCC(N)(C(=O)O)C(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-10(15,9(17)18)8(11(12,13)14)6-2-4-7(16)5-3-6/h2-5,8,16H,15H2,1H3,(H,17,18)
InChIKeyLRVWFJRTHXVQBY-UHFFFAOYSA-N
XLogP1.84
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide
CID 166708455
(2S)-2-amino-2,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 170341128
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenol
CID 157443739
4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
CID 175410360
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
(E,5S)-5-hydroxy-5-(4-hydroxyphenyl)-4,4-dimethylpent-2-enoic acid
CID 23807583
1-amino-2-(4-hydroxyphenyl)ethane-1,1,2-triol
CID 91092945
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid (CID 146661615) is 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid is CC(N)(C(=O)O)C(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid?
The InChIKey is LRVWFJRTHXVQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-10(15,9(17)18)8(11(12,13)14)6-2-4-7(16)5-3-6/h2-5,8,16H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid?
2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid has a molecular weight of 263.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid is sourced from PubChem (CID 146661615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).