2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate

C6H11N3O4 — CID 6994044

IUPAC2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate
SMILES[NH3+]CC(=O)NCC(=O)NCC(=O)[O-]
InChIInChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
InChIKeyXKUKSGPZAADMRA-UHFFFAOYSA-N
MW189.17 g/mol
LogP-4.79
Rot. Bonds5

About 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate

2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate (PubChem CID 6994044) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate
PubChem CID6994044
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate
SMILES[NH3+]CC(=O)NCC(=O)NCC(=O)[O-]
InChIInChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
InChIKeyXKUKSGPZAADMRA-UHFFFAOYSA-N
XLogP-4.79
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-4.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate (CID 6994044) is 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate is [NH3+]CC(=O)NCC(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate?
The InChIKey is XKUKSGPZAADMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13).
What are the key properties of 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate?
2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate has a molecular weight of 189.17 g/mol, XLogP of -4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6994044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).