2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid

C12H14F3NO3 — CID 104643670

IUPAC2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
SMILESCC(O)(CNCc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C12H14F3NO3/c1-11(19,10(17)18)7-16-6-8-3-2-4-9(5-8)12(13,14)15/h2-5,16,19H,6-7H2,1H3,(H,17,18)
InChIKeyPMMAXMFQTYGCLT-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.63
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid

2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid (PubChem CID 104643670) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
PubChem CID104643670
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
SMILESCC(O)(CNCc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C12H14F3NO3/c1-11(19,10(17)18)7-16-6-8-3-2-4-9(5-8)12(13,14)15/h2-5,16,19H,6-7H2,1H3,(H,17,18)
InChIKeyPMMAXMFQTYGCLT-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]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

2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 111468367
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
CID 17367770
hydroxy-[3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87514540
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
CID 70235528
3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643968
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid (CID 104643670) is 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid is CC(O)(CNCc1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid?
The InChIKey is PMMAXMFQTYGCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-11(19,10(17)18)7-16-6-8-3-2-4-9(5-8)12(13,14)15/h2-5,16,19H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid?
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid has a molecular weight of 277.24 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid is sourced from PubChem (CID 104643670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).