3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid

C13H14F3N3O2 — CID 79791356

IUPAC3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
SMILESCc1cccn2cc(CNC(C)(C(=O)O)C(F)(F)F)nc12
InChIInChI=1S/C13H14F3N3O2/c1-8-4-3-5-19-7-9(18-10(8)19)6-17-12(2,11(20)21)13(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,20,21)
InChIKeyDAQYGSCFMVIDAX-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.14
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid (PubChem CID 79791356) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
PubChem CID79791356
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
SMILESCc1cccn2cc(CNC(C)(C(=O)O)C(F)(F)F)nc12
InChIInChI=1S/C13H14F3N3O2/c1-8-4-3-5-19-7-9(18-10(8)19)6-17-12(2,11(20)21)13(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,20,21)
InChIKeyDAQYGSCFMVIDAX-UHFFFAOYSA-N
XLogP2.14
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)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

3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
CID 79790769
2-[tert-butyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 79269294
(2R)-2-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 119882775
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanecarboxamide
CID 3244515
6-methyl-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrimidin-4-amine
CID 75497248
3-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882794
4-(methylamino)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882755
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline
CID 133423043
2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid
CID 122126907
(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154
3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 39175642

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid (CID 79791356) is 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid is Cc1cccn2cc(CNC(C)(C(=O)O)C(F)(F)F)nc12.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
The InChIKey is DAQYGSCFMVIDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-8-4-3-5-19-7-9(18-10(8)19)6-17-12(2,11(20)21)13(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,20,21).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid has a molecular weight of 301.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 79791356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).