2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H13F3N2O4 — CID 162684978

IUPAC2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(F)(F)F.NCC(=O)O
InChIInChI=1S/C5H8F3NO2.C2H5NO2/c1-9(2-4(10)11)3-5(6,7)8;3-1-2(4)5/h2-3H2,1H3,(H,10,11);1,3H2,(H,4,5)
InChIKeySXUVOPRYIBELEG-UHFFFAOYSA-N
MW246.18 g/mol
LogP-0.41
Rot. Bonds4

About 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid

2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 162684978) has the molecular formula C7H13F3N2O4 and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID162684978
Molecular FormulaC7H13F3N2O4
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC Name2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(F)(F)F.NCC(=O)O
InChIInChI=1S/C5H8F3NO2.C2H5NO2/c1-9(2-4(10)11)3-5(6,7)8;3-1-2(4)5/h2-3H2,1H3,(H,10,11);1,3H2,(H,4,5)
InChIKeySXUVOPRYIBELEG-UHFFFAOYSA-N
XLogP-0.41
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 162684978) is 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid is CN(CC(=O)O)CC(F)(F)F.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SXUVOPRYIBELEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2.C2H5NO2/c1-9(2-4(10)11)3-5(6,7)8;3-1-2(4)5/h2-3H2,1H3,(H,10,11);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 246.18 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 162684978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).