2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid

C12H13F3N2O3 — CID 115596384

IUPAC2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O3/c1-7(2)17(6-10(18)19)11(20)9-4-3-8(5-16-9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyDMLPBARGVPQUGM-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.04
Rot. Bonds4

About 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid

2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 115596384) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID115596384
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O3/c1-7(2)17(6-10(18)19)11(20)9-4-3-8(5-16-9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyDMLPBARGVPQUGM-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic 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

2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 124571272
2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 60839687
N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid
CID 122107349
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908477
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105117081
2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832051

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid (CID 115596384) is 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is DMLPBARGVPQUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7(2)17(6-10(18)19)11(20)9-4-3-8(5-16-9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 290.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 115596384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).