(2-aminoacetyl) 2-aminoacetate

C4H8N2O3 — CID 20177

IUPAC(2-aminoacetyl) 2-aminoacetate
SMILESNCC(=O)OC(=O)CN
InChIInChI=1S/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2
InChIKeyYTMCUIACOKRXQA-UHFFFAOYSA-N
MW132.12 g/mol
LogP-2.03
Rot. Bonds2

About (2-aminoacetyl) 2-aminoacetate

(2-aminoacetyl) 2-aminoacetate (PubChem CID 20177) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (2-aminoacetyl) 2-aminoacetate.

Molecular Properties

Compound Name(2-aminoacetyl) 2-aminoacetate
PubChem CID20177
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(2-aminoacetyl) 2-aminoacetate
SMILESNCC(=O)OC(=O)CN
InChIInChI=1S/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2
InChIKeyYTMCUIACOKRXQA-UHFFFAOYSA-N
XLogP-2.03
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-2.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl) 2-aminoacetate?
The IUPAC name of (2-aminoacetyl) 2-aminoacetate (CID 20177) is (2-aminoacetyl) 2-aminoacetate.
What is the SMILES notation for (2-aminoacetyl) 2-aminoacetate?
The canonical SMILES for (2-aminoacetyl) 2-aminoacetate is NCC(=O)OC(=O)CN.
What is the InChIKey of (2-aminoacetyl) 2-aminoacetate?
The InChIKey is YTMCUIACOKRXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2.
What are the key properties of (2-aminoacetyl) 2-aminoacetate?
(2-aminoacetyl) 2-aminoacetate has a molecular weight of 132.12 g/mol, XLogP of -2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl) 2-aminoacetate is sourced from PubChem (CID 20177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).