bis(2-aminoacetyl) oxalate

C6H8N2O6 — CID 88769554

IUPACbis(2-aminoacetyl) oxalate
SMILESNCC(=O)OC(=O)C(=O)OC(=O)CN
InChIInChI=1S/C6H8N2O6/c7-1-3(9)13-5(11)6(12)14-4(10)2-8/h1-2,7-8H2
InChIKeyGOPIMQRGWQLOIM-UHFFFAOYSA-N
MW204.14 g/mol
LogP-2.96
Rot. Bonds2

About bis(2-aminoacetyl) oxalate

bis(2-aminoacetyl) oxalate (PubChem CID 88769554) has the molecular formula C6H8N2O6 and a molecular weight of 204.14 g/mol. Its IUPAC name is bis(2-aminoacetyl) oxalate.

Molecular Properties

Compound Namebis(2-aminoacetyl) oxalate
PubChem CID88769554
Molecular FormulaC6H8N2O6
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Namebis(2-aminoacetyl) oxalate
SMILESNCC(=O)OC(=O)C(=O)OC(=O)CN
InChIInChI=1S/C6H8N2O6/c7-1-3(9)13-5(11)6(12)14-4(10)2-8/h1-2,7-8H2
InChIKeyGOPIMQRGWQLOIM-UHFFFAOYSA-N
XLogP-2.96
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
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 ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
acetic acid;(2-aminoacetyl) 2-aminoacetate
CID 174797660
acetyl 2-aminoacetate
CID 13153876
acetic acid;acetyl 2-aminoacetate
CID 88749105
CID 174755029
CID 174755029
(2-aminoacetyl) 5-amino-4-oxopentanoate
CID 87872169
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
bis(3-amino-3-oxopropanoyl) oxalate
CID 174616357
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
(2-aminoacetyl) 2,3-dihydroxypropanoate
CID 163363613
2-aminoethaneperoxoic acid;hydrofluoride
CID 88599303
CID 18415084
CID 18415084

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetyl) oxalate?
The IUPAC name of bis(2-aminoacetyl) oxalate (CID 88769554) is bis(2-aminoacetyl) oxalate.
What is the SMILES notation for bis(2-aminoacetyl) oxalate?
The canonical SMILES for bis(2-aminoacetyl) oxalate is NCC(=O)OC(=O)C(=O)OC(=O)CN.
What is the InChIKey of bis(2-aminoacetyl) oxalate?
The InChIKey is GOPIMQRGWQLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6/c7-1-3(9)13-5(11)6(12)14-4(10)2-8/h1-2,7-8H2.
What are the key properties of bis(2-aminoacetyl) oxalate?
bis(2-aminoacetyl) oxalate has a molecular weight of 204.14 g/mol, XLogP of -2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetyl) oxalate is sourced from PubChem (CID 88769554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).