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

Name: Methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₁F₃N₂O₄ — CID 143745395

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate
PubChem CID	143745395
Molecular Formula	C₈H₁₁F₃N₂O₄
Molecular Weight	256.18 g/mol
Exact Mass	256.07
IUPAC Name	methyl 2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]acetate
SMILES	COC(=O)CNC(=O)N1CC(O)(C(F)(F)F)C1
InChI	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)
InChIKey	ZDLOANXRJXXFKK-UHFFFAOYSA-N
XLogP	-0.52
TPSA	78.87 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.18
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 143745395 — identifiers, structure, computed properties (public domain)

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