[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate

C9H12F3NO4 — CID 175223197

IUPAC[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
SMILESCN(CC(=O)OC(=O)C(F)(F)F)C1CCOC1
InChIInChI=1S/C9H12F3NO4/c1-13(6-2-3-16-5-6)4-7(14)17-8(15)9(10,11)12/h6H,2-5H2,1H3
InChIKeyLQQULVQFJSMOTE-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.34
Rot. Bonds3

About [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate

[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate (PubChem CID 175223197) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
PubChem CID175223197
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
SMILESCN(CC(=O)OC(=O)C(F)(F)F)C1CCOC1
InChIInChI=1S/C9H12F3NO4/c1-13(6-2-3-16-5-6)4-7(14)17-8(15)9(10,11)12/h6H,2-5H2,1H3
InChIKeyLQQULVQFJSMOTE-UHFFFAOYSA-N
XLogP0.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
CID 78947797
N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82731736
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
CID 163286790
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733451
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
CID 82754758
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid
CID 82743302
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate (CID 175223197) is [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate is CN(CC(=O)OC(=O)C(F)(F)F)C1CCOC1.
What is the InChIKey of [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate?
The InChIKey is LQQULVQFJSMOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c1-13(6-2-3-16-5-6)4-7(14)17-8(15)9(10,11)12/h6H,2-5H2,1H3.
What are the key properties of [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate?
[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate has a molecular weight of 255.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 175223197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).