methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C8H15NO5 — CID 90747194

IUPACmethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO5/c1-8(2,3)14-7(11)9(12)5-6(10)13-4/h12H,5H2,1-4H3
InChIKeySPXCUWMSLNDWPP-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.79
Rot. Bonds2

About methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 90747194) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID90747194
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namemethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO5/c1-8(2,3)14-7(11)9(12)5-6(10)13-4/h12H,5H2,1-4H3
InChIKeySPXCUWMSLNDWPP-UHFFFAOYSA-N
XLogP0.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 90747194) is methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(O)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is SPXCUWMSLNDWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-8(2,3)14-7(11)9(12)5-6(10)13-4/h12H,5H2,1-4H3.
What are the key properties of methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 205.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 90747194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).