2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

C6H9F3N2O3 — CID 43466031

IUPAC2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)3-11-4(12)1-10-2-5(13)14/h10H,1-3H2,(H,11,12)(H,13,14)
InChIKeyZZNQPPNSYBVVHR-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.66
Rot. Bonds5

About 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (PubChem CID 43466031) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
PubChem CID43466031
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)3-11-4(12)1-10-2-5(13)14/h10H,1-3H2,(H,11,12)(H,13,14)
InChIKeyZZNQPPNSYBVVHR-UHFFFAOYSA-N
XLogP-0.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (CID 43466031) is 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is O=C(O)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The InChIKey is ZZNQPPNSYBVVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c7-6(8,9)3-11-4(12)1-10-2-5(13)14/h10H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid has a molecular weight of 214.14 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 43466031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).