2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid

C12H20FNO6 — CID 14859122

IUPAC2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(F)C(=O)O
InChIInChI=1S/C12H20FNO6/c1-11(2,3)19-9(17)14(7(13)8(15)16)10(18)20-12(4,5)6/h7H,1-6H3,(H,15,16)
InChIKeyWPLJYEPMVWRUQR-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.54
Rot. Bonds2

About 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid (PubChem CID 14859122) has the molecular formula C12H20FNO6 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid
PubChem CID14859122
Molecular FormulaC12H20FNO6
Molecular Weight293.29 g/mol
Exact Mass293.13
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(F)C(=O)O
InChIInChI=1S/C12H20FNO6/c1-11(2,3)19-9(17)14(7(13)8(15)16)10(18)20-12(4,5)6/h7H,1-6H3,(H,15,16)
InChIKeyWPLJYEPMVWRUQR-UHFFFAOYSA-N
XLogP2.54
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid (CID 14859122) is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(F)C(=O)O.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid?
The InChIKey is WPLJYEPMVWRUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO6/c1-11(2,3)19-9(17)14(7(13)8(15)16)10(18)20-12(4,5)6/h7H,1-6H3,(H,15,16).
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid?
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid has a molecular weight of 293.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetic acid is sourced from PubChem (CID 14859122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).