2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid

C8H14F3NO4 — CID 86640294

IUPAC2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO2.C2HF3O2/c1-3-7(4-2)5-6(8)9;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H,8,9);(H,6,7)
InChIKeyXVVXKHSKFIGJQV-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.05
Rot. Bonds4

About 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid

2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 86640294) has the molecular formula C8H14F3NO4 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID86640294
Molecular FormulaC8H14F3NO4
Molecular Weight245.20 g/mol
Exact Mass245.09
IUPAC Name2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO2.C2HF3O2/c1-3-7(4-2)5-6(8)9;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H,8,9);(H,6,7)
InChIKeyXVVXKHSKFIGJQV-UHFFFAOYSA-N
XLogP1.05
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyliminodiacetic acid
CID 20441
2-[Carboxymethyl(ethyl)amino]acetic acid
CID 219585
methanaminium, 1-carboxy-n-(carboxymethyl)-n,n-dimethyl-, inner salt
CID 15803486
[N,N'-di(carboxymethyl)-aminomethyl] fluoran
CID 129689644
Carboxymethyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 12753927
Carboxy-N-(carboxymethyl)-N,N-dimethylmethanaminium
CID 15803487
[Carboxy(fluoro)methyl]-trimethylazanium
CID 19975212
2-[Methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 43350784
Carboxymethyl-dimethyl-(trifluoromethyl)azanium
CID 57051462
Bis(2-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 57483586
2-[Dimethyl(2,2,2-trifluoroethyl)azaniumyl]acetate
CID 57731229
Carboxymethyl-dimethyl-(2,2,2-trifluoroethyl)azanium
CID 57731230

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid (CID 86640294) is 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid is CCN(CC)CC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is XVVXKHSKFIGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2HF3O2/c1-3-7(4-2)5-6(8)9;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H,8,9);(H,6,7).
What are the key properties of 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid?
2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 245.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86640294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).