methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C10H17NO6 — CID 10922855

IUPACmethyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)OC(C)=O
InChIInChI=1S/C10H17NO6/c1-6(12)16-7(8(13)15-5)11-9(14)17-10(2,3)4/h7H,1-5H3,(H,11,14)
InChIKeyNVLYIFJPIVHPGY-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 10922855) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID10922855
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Namemethyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)OC(C)=O
InChIInChI=1S/C10H17NO6/c1-6(12)16-7(8(13)15-5)11-9(14)17-10(2,3)4/h7H,1-5H3,(H,11,14)
InChIKeyNVLYIFJPIVHPGY-UHFFFAOYSA-N
XLogP0.57
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 10922855) is methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)C(NC(=O)OC(C)(C)C)OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is NVLYIFJPIVHPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-6(12)16-7(8(13)15-5)11-9(14)17-10(2,3)4/h7H,1-5H3,(H,11,14).
What are the key properties of methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 247.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 10922855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).