2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid

C9H14F3NO5 — CID 175223198

IUPAC2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESCN(CC(=O)O)C1CCOC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-8(4-7(9)10)6-2-3-11-5-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7)
InChIKeyOPQMYHBMXRSLME-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.43
Rot. Bonds3

About 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid

2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175223198) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175223198
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Name2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESCN(CC(=O)O)C1CCOC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-8(4-7(9)10)6-2-3-11-5-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7)
InChIKeyOPQMYHBMXRSLME-UHFFFAOYSA-N
XLogP0.43
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Carboxymethyl-dimethyl-[3-(2,2,2-trifluoroacetyl)oxypropyl]azanium
CID 130266652
(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
[2-[Methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate
CID 163286789
[2-[Methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
CID 175223197
[2-[Methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroacetate
CID 175223201
2-[Methyl(oxan-4-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 175223203
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961978
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961980
2-[Butan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962378
2-[2-Methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54969258
2-[Carboxymethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 55244989
2-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490705

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid (CID 175223198) is 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid is CN(CC(=O)O)C1CCOC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is OPQMYHBMXRSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2HF3O2/c1-8(4-7(9)10)6-2-3-11-5-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7).
What are the key properties of 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid?
2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 273.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175223198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).