ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate

C12H13F3N2O3 — CID 115593424

IUPACethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O3/c1-3-20-11(19)7(2)17-10(18)9-5-4-8(6-16-9)12(13,14)15/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyYXWLZPBDJUQGHN-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.78
Rot. Bonds4

About ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate

ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate (PubChem CID 115593424) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
PubChem CID115593424
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O3/c1-3-20-11(19)7(2)17-10(18)9-5-4-8(6-16-9)12(13,14)15/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyYXWLZPBDJUQGHN-UHFFFAOYSA-N
XLogP1.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
ethyl (2S)-2-[[9-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]propanoate
CID 10695509
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908307
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate (CID 115593424) is ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate?
The InChIKey is YXWLZPBDJUQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-3-20-11(19)7(2)17-10(18)9-5-4-8(6-16-9)12(13,14)15/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate?
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate has a molecular weight of 290.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 115593424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).