2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C11H20F3NO4 — CID 143680843

IUPAC2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(OC(=O)NCC(=O)O)C(F)(F)F.CC(C)C
InChIInChI=1S/C7H10F3NO4.C4H10/c1-6(2,7(8,9)10)15-5(14)11-3-4(12)13;1-4(2)3/h3H2,1-2H3,(H,11,14)(H,12,13);4H,1-3H3
InChIKeyGIGQPAJABMKVEX-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.80
Rot. Bonds3

About 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 143680843) has the molecular formula C11H20F3NO4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID143680843
Molecular FormulaC11H20F3NO4
Molecular Weight287.28 g/mol
Exact Mass287.13
IUPAC Name2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(OC(=O)NCC(=O)O)C(F)(F)F.CC(C)C
InChIInChI=1S/C7H10F3NO4.C4H10/c1-6(2,7(8,9)10)15-5(14)11-3-4(12)13;1-4(2)3/h3H2,1-2H3,(H,11,14)(H,12,13);4H,1-3H3
InChIKeyGIGQPAJABMKVEX-UHFFFAOYSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 143680843) is 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(OC(=O)NCC(=O)O)C(F)(F)F.CC(C)C.
What is the InChIKey of 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is GIGQPAJABMKVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4.C4H10/c1-6(2,7(8,9)10)15-5(14)11-3-4(12)13;1-4(2)3/h3H2,1-2H3,(H,11,14)(H,12,13);4H,1-3H3.
What are the key properties of 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 143680843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).