5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C10H16F3NO4 — CID 53401930

IUPAC5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14-6(7(15)16)4-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyYRXRZBPEGLIKRH-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.31
Rot. Bonds4

About 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 53401930) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID53401930
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14-6(7(15)16)4-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyYRXRZBPEGLIKRH-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 53401930) is 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)O.
What is the InChIKey of 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is YRXRZBPEGLIKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14-6(7(15)16)4-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 271.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 53401930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).