ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate

C11H13F3N2O2 — CID 61498811

IUPACethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2O2/c1-3-18-10(17)7(2)16-9-5-4-8(6-15-9)11(12,13)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUUVRGJHKERQSCD-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.46
Rot. Bonds4

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

ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate (PubChem CID 61498811) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
PubChem CID61498811
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2O2/c1-3-18-10(17)7(2)16-9-5-4-8(6-15-9)11(12,13)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUUVRGJHKERQSCD-UHFFFAOYSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate 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

ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011564
ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102436674
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 47981886
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
N-(6-methylheptan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63539653
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
3-nitrososulfanyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 44546246
N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 115691993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate (CID 61498811) is ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate is CCOC(=O)C(C)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The InChIKey is UUVRGJHKERQSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-3-18-10(17)7(2)16-9-5-4-8(6-15-9)11(12,13)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate has a molecular weight of 262.23 g/mol, XLogP of 2.46, 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)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 61498811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).