2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C11H16F3NO4 — CID 138056660

IUPAC2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)(C1CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-10(7(16)17,6-4-5-6)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCFKOFXIVHZZURM-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.31
Rot. Bonds3

About 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 138056660) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID138056660
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)(C1CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-10(7(16)17,6-4-5-6)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCFKOFXIVHZZURM-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 138056660) is 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NC(C(=O)O)(C1CC1)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is CFKOFXIVHZZURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-10(7(16)17,6-4-5-6)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 283.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 138056660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).