methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate

C8H11F3N2O4 — CID 143745395

IUPACmethyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4/c1-17-5(14)2-12-6(15)13-3-7(16,4-13)8(9,10)11/h16H,2-4H2,1H3,(H,12,15)
InChIKeyZDLOANXRJXXFKK-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.52
Rot. Bonds2

About methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate

methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate (PubChem CID 143745395) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate
PubChem CID143745395
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4/c1-17-5(14)2-12-6(15)13-3-7(16,4-13)8(9,10)11/h16H,2-4H2,1H3,(H,12,15)
InChIKeyZDLOANXRJXXFKK-UHFFFAOYSA-N
XLogP-0.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate (CID 143745395) is methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate?
The InChIKey is ZDLOANXRJXXFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c1-17-5(14)2-12-6(15)13-3-7(16,4-13)8(9,10)11/h16H,2-4H2,1H3,(H,12,15).
What are the key properties of methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate?
methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate has a molecular weight of 256.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 143745395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).