methyl 2-[formyl(methoxycarbonyl)amino]acetate

C6H9NO5 — CID 166484365

IUPACmethyl 2-[formyl(methoxycarbonyl)amino]acetate
SMILESCOC(=O)CN(C=O)C(=O)OC
InChIInChI=1S/C6H9NO5/c1-11-5(9)3-7(4-8)6(10)12-2/h4H,3H2,1-2H3
InChIKeyLUWGXOHYKBXCEJ-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.62
Rot. Bonds3

About methyl 2-[formyl(methoxycarbonyl)amino]acetate

methyl 2-[formyl(methoxycarbonyl)amino]acetate (PubChem CID 166484365) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is methyl 2-[formyl(methoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[formyl(methoxycarbonyl)amino]acetate
PubChem CID166484365
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Namemethyl 2-[formyl(methoxycarbonyl)amino]acetate
SMILESCOC(=O)CN(C=O)C(=O)OC
InChIInChI=1S/C6H9NO5/c1-11-5(9)3-7(4-8)6(10)12-2/h4H,3H2,1-2H3
InChIKeyLUWGXOHYKBXCEJ-UHFFFAOYSA-N
XLogP-0.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[formyl(methoxycarbonyl)amino]acetate?
The IUPAC name of methyl 2-[formyl(methoxycarbonyl)amino]acetate (CID 166484365) is methyl 2-[formyl(methoxycarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[formyl(methoxycarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[formyl(methoxycarbonyl)amino]acetate is COC(=O)CN(C=O)C(=O)OC.
What is the InChIKey of methyl 2-[formyl(methoxycarbonyl)amino]acetate?
The InChIKey is LUWGXOHYKBXCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-11-5(9)3-7(4-8)6(10)12-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-[formyl(methoxycarbonyl)amino]acetate?
methyl 2-[formyl(methoxycarbonyl)amino]acetate has a molecular weight of 175.14 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[formyl(methoxycarbonyl)amino]acetate is sourced from PubChem (CID 166484365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).