bis(2-amino-2-oxoethyl) oxalate

C6H8N2O6 — CID 91566906

IUPACbis(2-amino-2-oxoethyl) oxalate
SMILESNC(=O)COC(=O)C(=O)OCC(N)=O
InChIInChI=1S/C6H8N2O6/c7-3(9)1-13-5(11)6(12)14-2-4(8)10/h1-2H2,(H2,7,9)(H2,8,10)
InChIKeyCYRPPBYOTUIESS-UHFFFAOYSA-N
MW204.14 g/mol
LogP-2.96
Rot. Bonds4

About bis(2-amino-2-oxoethyl) oxalate

bis(2-amino-2-oxoethyl) oxalate (PubChem CID 91566906) has the molecular formula C6H8N2O6 and a molecular weight of 204.14 g/mol. Its IUPAC name is bis(2-amino-2-oxoethyl) oxalate.

Molecular Properties

Compound Namebis(2-amino-2-oxoethyl) oxalate
PubChem CID91566906
Molecular FormulaC6H8N2O6
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Namebis(2-amino-2-oxoethyl) oxalate
SMILESNC(=O)COC(=O)C(=O)OCC(N)=O
InChIInChI=1S/C6H8N2O6/c7-3(9)1-13-5(11)6(12)14-2-4(8)10/h1-2H2,(H2,7,9)(H2,8,10)
InChIKeyCYRPPBYOTUIESS-UHFFFAOYSA-N
XLogP-2.96
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 5-2.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) hypoiodite
CID 118501112
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-but-1-en-2-yloxyacetamide
CID 89101591
bis(3-amino-3-oxopropanoyl) oxalate
CID 174616357
tris(2-amino-2-oxoethyl) phosphate
CID 88773864
bis(2-chlorooxy-2-oxoethyl) oxalate
CID 174369244
2-(2-amino-2-oxoethoxy)acetamide;sulfuric acid
CID 87094511
(2-amino-2-oxoethyl) pentanoate
CID 142660312
2-thiophosphorosooxyacetamide
CID 88622455
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
ruthenium;urea
CID 161030938
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-oxoethyl) oxalate?
The IUPAC name of bis(2-amino-2-oxoethyl) oxalate (CID 91566906) is bis(2-amino-2-oxoethyl) oxalate.
What is the SMILES notation for bis(2-amino-2-oxoethyl) oxalate?
The canonical SMILES for bis(2-amino-2-oxoethyl) oxalate is NC(=O)COC(=O)C(=O)OCC(N)=O.
What is the InChIKey of bis(2-amino-2-oxoethyl) oxalate?
The InChIKey is CYRPPBYOTUIESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6/c7-3(9)1-13-5(11)6(12)14-2-4(8)10/h1-2H2,(H2,7,9)(H2,8,10).
What are the key properties of bis(2-amino-2-oxoethyl) oxalate?
bis(2-amino-2-oxoethyl) oxalate has a molecular weight of 204.14 g/mol, XLogP of -2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-oxoethyl) oxalate is sourced from PubChem (CID 91566906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).