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

C8H15NO4 — CID 637609

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-5-6(10)12-4/h5H2,1-4H3,(H,9,11)
InChIKeyPHUZOEOLWIHIKH-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.68
Rot. Bonds2

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

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 637609) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID637609
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-5-6(10)12-4/h5H2,1-4H3,(H,9,11)
InChIKeyPHUZOEOLWIHIKH-UHFFFAOYSA-N
XLogP0.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 637609) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is PHUZOEOLWIHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-5-6(10)12-4/h5H2,1-4H3,(H,9,11).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 189.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 637609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).