methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate

C12H22N2O5 — CID 134866164

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate
SMILES[3H]CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)OC
InChIInChI=1S/C12H22N2O5/c1-9(15)14(8-10(16)18-5)7-6-13-11(17)19-12(2,3)4/h6-8H2,1-5H3,(H,13,17)/i1T
InChIKeyIAYOHKDMJNONJA-CNRUNOGKSA-N
MW276.33 g/mol
LogP0.53
Rot. Bonds6

About methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate (PubChem CID 134866164) has the molecular formula C12H22N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate
PubChem CID134866164
Molecular FormulaC12H22N2O5
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate
SMILES[3H]CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)OC
InChIInChI=1S/C12H22N2O5/c1-9(15)14(8-10(16)18-5)7-6-13-11(17)19-12(2,3)4/h6-8H2,1-5H3,(H,13,17)/i1T
InChIKeyIAYOHKDMJNONJA-CNRUNOGKSA-N
XLogP0.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate (CID 134866164) is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate is [3H]CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)OC.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate?
The InChIKey is IAYOHKDMJNONJA-CNRUNOGKSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(15)14(8-10(16)18-5)7-6-13-11(17)19-12(2,3)4/h6-8H2,1-5H3,(H,13,17)/i1T.
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate?
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate has a molecular weight of 276.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate is sourced from PubChem (CID 134866164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).