ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate

C9H15NO5 — CID 87224078

IUPACethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C=O)OC(C)(C)C
InChIInChI=1S/C9H15NO5/c1-5-14-8(13)7(12)10(6-11)15-9(2,3)4/h6H,5H2,1-4H3
InChIKeyYOYVADZDYOPHFF-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.26
Rot. Bonds3

About ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate

ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate (PubChem CID 87224078) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate
PubChem CID87224078
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Nameethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C=O)OC(C)(C)C
InChIInChI=1S/C9H15NO5/c1-5-14-8(13)7(12)10(6-11)15-9(2,3)4/h6H,5H2,1-4H3
InChIKeyYOYVADZDYOPHFF-UHFFFAOYSA-N
XLogP0.26
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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 ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate (CID 87224078) is ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate is CCOC(=O)C(=O)N(C=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate?
The InChIKey is YOYVADZDYOPHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5-14-8(13)7(12)10(6-11)15-9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate?
ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate has a molecular weight of 217.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate is sourced from PubChem (CID 87224078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).