amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate

C4H10N4O4 — CID 163655250

IUPACamino 2,2-diamino-2-(2-aminoacetyl)oxyacetate
SMILESNCC(=O)OC(N)(N)C(=O)ON
InChIInChI=1S/C4H10N4O4/c5-1-2(9)11-4(6,7)3(10)12-8/h1,5-8H2
InChIKeyIPQWMLVQBQXJOF-UHFFFAOYSA-N
MW178.15 g/mol
LogP-3.52
Rot. Bonds3

About amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate

amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate (PubChem CID 163655250) has the molecular formula C4H10N4O4 and a molecular weight of 178.15 g/mol. Its IUPAC name is amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate.

Molecular Properties

Compound Nameamino 2,2-diamino-2-(2-aminoacetyl)oxyacetate
PubChem CID163655250
Molecular FormulaC4H10N4O4
Molecular Weight178.15 g/mol
Exact Mass178.07
IUPAC Nameamino 2,2-diamino-2-(2-aminoacetyl)oxyacetate
SMILESNCC(=O)OC(N)(N)C(=O)ON
InChIInChI=1S/C4H10N4O4/c5-1-2(9)11-4(6,7)3(10)12-8/h1,5-8H2
InChIKeyIPQWMLVQBQXJOF-UHFFFAOYSA-N
XLogP-3.52
TPSA156.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-3.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate?
The IUPAC name of amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate (CID 163655250) is amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate.
What is the SMILES notation for amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate?
The canonical SMILES for amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate is NCC(=O)OC(N)(N)C(=O)ON.
What is the InChIKey of amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate?
The InChIKey is IPQWMLVQBQXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O4/c5-1-2(9)11-4(6,7)3(10)12-8/h1,5-8H2.
What are the key properties of amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate?
amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate has a molecular weight of 178.15 g/mol, XLogP of -3.52, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate is sourced from PubChem (CID 163655250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).