4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid

C9H13F3N2O4 — CID 79811821

IUPAC4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid
SMILESCC(N)(C(=O)NC1COCC1C(=O)O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-8(13,9(10,11)12)7(17)14-5-3-18-2-4(5)6(15)16/h4-5H,2-3,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyIYUBFYFQWMYCPQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.52
Rot. Bonds3

About 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 79811821) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid
PubChem CID79811821
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid
SMILESCC(N)(C(=O)NC1COCC1C(=O)O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-8(13,9(10,11)12)7(17)14-5-3-18-2-4(5)6(15)16/h4-5H,2-3,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyIYUBFYFQWMYCPQ-UHFFFAOYSA-N
XLogP-0.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid (CID 79811821) is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid is CC(N)(C(=O)NC1COCC1C(=O)O)C(F)(F)F.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IYUBFYFQWMYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c1-8(13,9(10,11)12)7(17)14-5-3-18-2-4(5)6(15)16/h4-5H,2-3,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid?
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79811821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).