2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid

C10H11F3N2O2 — CID 167823695

IUPAC2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1ncccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-15(6-9(16)17)5-8-7(10(11,12)13)3-2-4-14-8/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyRJQDXSWNRZAUOQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.62
Rot. Bonds4

About 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid

2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid (PubChem CID 167823695) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
PubChem CID167823695
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1ncccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-15(6-9(16)17)5-8-7(10(11,12)13)3-2-4-14-8/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyRJQDXSWNRZAUOQ-UHFFFAOYSA-N
XLogP1.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
CID 135392885
2-benzyl-3-(trifluoromethyl)pyridine
CID 58230279
methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 62004487
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119346109
2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
CID 68660527
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 171925814
methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621627
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid (CID 167823695) is 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid is CN(CC(=O)O)Cc1ncccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid?
The InChIKey is RJQDXSWNRZAUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(6-9(16)17)5-8-7(10(11,12)13)3-2-4-14-8/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid?
2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid is sourced from PubChem (CID 167823695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).