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

C6H10F3NO5 — CID 172878739

IUPAC2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid
SMILESNCCOCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO3.C2HF3O2/c5-1-2-8-3-4(6)7;3-2(4,5)1(6)7/h1-3,5H2,(H,6,7);(H,6,7)
InChIKeyPSRLWDLUZAAYEP-UHFFFAOYSA-N
MW233.14 g/mol
LogP-0.32
Rot. Bonds4

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

2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 172878739) has the molecular formula C6H10F3NO5 and a molecular weight of 233.14 g/mol. Its IUPAC name is 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID172878739
Molecular FormulaC6H10F3NO5
Molecular Weight233.14 g/mol
Exact Mass233.05
IUPAC Name2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid
SMILESNCCOCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO3.C2HF3O2/c5-1-2-8-3-4(6)7;3-2(4,5)1(6)7/h1-3,5H2,(H,6,7);(H,6,7)
InChIKeyPSRLWDLUZAAYEP-UHFFFAOYSA-N
XLogP-0.32
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid (CID 172878739) is 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid is NCCOCC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PSRLWDLUZAAYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C2HF3O2/c5-1-2-8-3-4(6)7;3-2(4,5)1(6)7/h1-3,5H2,(H,6,7);(H,6,7).
What are the key properties of 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid?
2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 233.14 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172878739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).