4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid

C14H18F3NO2 — CID 66090950

IUPAC4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(C)(N)C(C)(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-12(2,18)13(3,8-11(19)20)9-5-4-6-10(7-9)14(15,16)17/h4-7H,8,18H2,1-3H3,(H,19,20)
InChIKeyDXBZKFCXVUIQSU-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.18
Rot. Bonds4

About 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid

4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 66090950) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID66090950
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(C)(N)C(C)(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-12(2,18)13(3,8-11(19)20)9-5-4-6-10(7-9)14(15,16)17/h4-7H,8,18H2,1-3H3,(H,19,20)
InChIKeyDXBZKFCXVUIQSU-UHFFFAOYSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic 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-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122
4-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 66096075
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentanoic acid
CID 66089545
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
3-[3-(1,1-difluoroethyl)phenyl]-3-methylbutanoic acid
CID 117357567
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
methyl 4-amino-3-(3-bromophenyl)-3,4-dimethylpentanoate
CID 66089307
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
3-amino-3-fluoro-3-phenylpropanoic acid
CID 70119965
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid (CID 66090950) is 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid is CC(C)(N)C(C)(CC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is DXBZKFCXVUIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-12(2,18)13(3,8-11(19)20)9-5-4-6-10(7-9)14(15,16)17/h4-7H,8,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 289.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 66090950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).