2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C7H7F3N4O4 — CID 79258836

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNc1nonc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H7F3N4O4/c8-7(9,10)2-14(1-3(15)16)6(17)4-5(11)13-18-12-4/h1-2H2,(H2,11,13)(H,15,16)
InChIKeyLQFPAJAOEKUVRO-UHFFFAOYSA-N
MW268.15 g/mol
LogP-0.26
Rot. Bonds4

About 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258836) has the molecular formula C7H7F3N4O4 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258836
Molecular FormulaC7H7F3N4O4
Molecular Weight268.15 g/mol
Exact Mass268.04
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNc1nonc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H7F3N4O4/c8-7(9,10)2-14(1-3(15)16)6(17)4-5(11)13-18-12-4/h1-2H2,(H2,11,13)(H,15,16)
InChIKeyLQFPAJAOEKUVRO-UHFFFAOYSA-N
XLogP-0.26
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258836) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Nc1nonc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LQFPAJAOEKUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O4/c8-7(9,10)2-14(1-3(15)16)6(17)4-5(11)13-18-12-4/h1-2H2,(H2,11,13)(H,15,16).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.15 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).