2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid

C13H16F3NO2 — CID 115050963

IUPAC2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
SMILESCC(N)(C(=O)O)C(C)(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-11(2,12(3,17)10(18)19)8-5-4-6-9(7-8)13(14,15)16/h4-7H,17H2,1-3H3,(H,18,19)
InChIKeyRRLBKGGDTCWKAV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid

2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 115050963) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
PubChem CID115050963
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
SMILESCC(N)(C(=O)O)C(C)(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-11(2,12(3,17)10(18)19)8-5-4-6-9(7-8)13(14,15)16/h4-7H,17H2,1-3H3,(H,18,19)
InChIKeyRRLBKGGDTCWKAV-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
2-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]butanoic acid;hydrochloride
CID 69068250
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid
CID 115050759
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
CID 145487345
CID 145487345
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
2-[2-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 59712997

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid (CID 115050963) is 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid is CC(N)(C(=O)O)C(C)(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is RRLBKGGDTCWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-11(2,12(3,17)10(18)19)8-5-4-6-9(7-8)13(14,15)16/h4-7H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid?
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 275.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 115050963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).