methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid

C11H19F3N2O5 — CID 87403533

IUPACmethyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O3.C2HF3O2/c1-8(2,10)6(12)11-9(3,4)7(13)14-5;3-2(4,5)1(6)7/h10H2,1-5H3,(H,11,12);(H,6,7)
InChIKeyXQAAQNGRVGFOAJ-UHFFFAOYSA-N
MW316.28 g/mol
LogP0.42
Rot. Bonds3

About methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid

methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid (PubChem CID 87403533) has the molecular formula C11H19F3N2O5 and a molecular weight of 316.28 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid
PubChem CID87403533
Molecular FormulaC11H19F3N2O5
Molecular Weight316.28 g/mol
Exact Mass316.12
IUPAC Namemethyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O3.C2HF3O2/c1-8(2,10)6(12)11-9(3,4)7(13)14-5;3-2(4,5)1(6)7/h10H2,1-5H3,(H,11,12);(H,6,7)
InChIKeyXQAAQNGRVGFOAJ-UHFFFAOYSA-N
XLogP0.42
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid (CID 87403533) is methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid is COC(=O)C(C)(C)NC(=O)C(C)(C)N.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid?
The InChIKey is XQAAQNGRVGFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.C2HF3O2/c1-8(2,10)6(12)11-9(3,4)7(13)14-5;3-2(4,5)1(6)7/h10H2,1-5H3,(H,11,12);(H,6,7).
What are the key properties of methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid?
methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid has a molecular weight of 316.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87403533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).