2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid

C11H20F3NO2 — CID 62270138

IUPAC2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(CC)C(=O)O
InChIInChI=1S/C11H20F3NO2/c1-4-6-15(8-11(12,13)14)7-10(3,5-2)9(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKeyNTXDUTCKBQNVJC-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.76
Rot. Bonds7

About 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid

2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid (PubChem CID 62270138) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
PubChem CID62270138
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(CC)C(=O)O
InChIInChI=1S/C11H20F3NO2/c1-4-6-15(8-11(12,13)14)7-10(3,5-2)9(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKeyNTXDUTCKBQNVJC-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708735
3-[(3,3-Dimethylbutyl)(methyl)amino]propanoic acid hydrochloride
CID 145874507
3-(3,3-Dimethylbutylamino)-4,4,4-trifluorobutanoic acid
CID 57632472
3-[(3,3-Dimethylbutyl)(methyl)amino]propanoic acid
CID 60986793
1-Tert-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 178951391
2-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055361
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
CID 55055409
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055456
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 55055457
2-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butanoic acid
CID 55142133
3-[Butan-2-yl(butyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146327
3-[Bis(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid (CID 62270138) is 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid is CCCN(CC(F)(F)F)CC(C)(CC)C(=O)O.
What is the InChIKey of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
The InChIKey is NTXDUTCKBQNVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-6-15(8-11(12,13)14)7-10(3,5-2)9(16)17/h4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid is sourced from PubChem (CID 62270138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).