3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C9H9F3N2O4 — CID 79795993

IUPAC3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cnoc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-4-3-13-18-5(4)6(15)14-8(2,7(16)17)9(10,11)12/h3H,1-2H3,(H,14,15)(H,16,17)
InChIKeyQPYGXQFVMLZJMR-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.12
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 79795993) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID79795993
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cnoc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-4-3-13-18-5(4)6(15)14-8(2,7(16)17)9(10,11)12/h3H,1-2H3,(H,14,15)(H,16,17)
InChIKeyQPYGXQFVMLZJMR-UHFFFAOYSA-N
XLogP1.12
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 79795993) is 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is Cc1cnoc1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is QPYGXQFVMLZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c1-4-3-13-18-5(4)6(15)14-8(2,7(16)17)9(10,11)12/h3H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 266.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79795993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).