2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

C11H13F3N2O2 — CID 66329231

IUPAC2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCN(c1cc(C(F)(F)F)ccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H13F3N2O2/c1-10(2,9(17)18)16(3)8-6-7(4-5-15-8)11(12,13)14/h4-6H,1-3H3,(H,17,18)
InChIKeyHKWBELGINDXUKH-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 66329231) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
PubChem CID66329231
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCN(c1cc(C(F)(F)F)ccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H13F3N2O2/c1-10(2,9(17)18)16(3)8-6-7(4-5-15-8)11(12,13)14/h4-6H,1-3H3,(H,17,18)
InChIKeyHKWBELGINDXUKH-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid
CID 62818579
2-[[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzoate
CID 6926085
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 81230452
3-[ethyl-[4-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 66329427
2-methyl-2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 62818914
3,4-dibromo-1-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 58230282
(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid
CID 66589408
N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 107205276
[4-[difluoro-(4-iodophenyl)methyl]-2-pyridinyl]-methylcarbamic acid
CID 174162612
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 77126126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (CID 66329231) is 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is CN(c1cc(C(F)(F)F)ccn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is HKWBELGINDXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(2,9(17)18)16(3)8-6-7(4-5-15-8)11(12,13)14/h4-6H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 66329231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).