methyl 2-aminoacetate;2,2,2-trifluoroacetic acid

C5H8F3NO4 — CID 86051830

IUPACmethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO2.C2HF3O2/c1-6-3(5)2-4;3-2(4,5)1(6)7/h2,4H2,1H3;(H,6,7)
InChIKeyRADHRKPGERRDEN-UHFFFAOYSA-N
MW203.12 g/mol
LogP-0.25
Rot. Bonds1

About methyl 2-aminoacetate;2,2,2-trifluoroacetic acid

methyl 2-aminoacetate;2,2,2-trifluoroacetic acid (PubChem CID 86051830) has the molecular formula C5H8F3NO4 and a molecular weight of 203.12 g/mol. Its IUPAC name is methyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
PubChem CID86051830
Molecular FormulaC5H8F3NO4
Molecular Weight203.12 g/mol
Exact Mass203.04
IUPAC Namemethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO2.C2HF3O2/c1-6-3(5)2-4;3-2(4,5)1(6)7/h2,4H2,1H3;(H,6,7)
InChIKeyRADHRKPGERRDEN-UHFFFAOYSA-N
XLogP-0.25
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2-aminoacetate;2,2,2-trifluoroacetic acid (CID 86051830) is methyl 2-aminoacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2-aminoacetate;2,2,2-trifluoroacetic acid is COC(=O)CN.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The InChIKey is RADHRKPGERRDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2HF3O2/c1-6-3(5)2-4;3-2(4,5)1(6)7/h2,4H2,1H3;(H,6,7).
What are the key properties of methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
methyl 2-aminoacetate;2,2,2-trifluoroacetic acid has a molecular weight of 203.12 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminoacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86051830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).