ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate

C12H15F3N2O2 — CID 122372494

IUPACethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
SMILESCCOC(=O)C(N)(C(C)c1ccccn1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-3-19-10(18)11(16,12(13,14)15)8(2)9-6-4-5-7-17-9/h4-8H,3,16H2,1-2H3
InChIKeyZSGBHJCVXKUGRY-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.01
Rot. Bonds4

About ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate

ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate (PubChem CID 122372494) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
PubChem CID122372494
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
SMILESCCOC(=O)C(N)(C(C)c1ccccn1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-3-19-10(18)11(16,12(13,14)15)8(2)9-6-4-5-7-17-9/h4-8H,3,16H2,1-2H3
InChIKeyZSGBHJCVXKUGRY-UHFFFAOYSA-N
XLogP2.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate?
The IUPAC name of ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate (CID 122372494) is ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate?
The canonical SMILES for ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate is CCOC(=O)C(N)(C(C)c1ccccn1)C(F)(F)F.
What is the InChIKey of ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate?
The InChIKey is ZSGBHJCVXKUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-19-10(18)11(16,12(13,14)15)8(2)9-6-4-5-7-17-9/h4-8H,3,16H2,1-2H3.
What are the key properties of ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate?
ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate has a molecular weight of 276.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 122372494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).