2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide

C8H10N8O6 — CID 18795336

IUPAC2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide
SMILES[N-]=[N+]=NC(=O)CNC(=O)C(O)C(O)C(=O)NCC(=O)N=[N+]=[N-]
InChIInChI=1S/C8H10N8O6/c9-15-13-3(17)1-11-7(21)5(19)6(20)8(22)12-2-4(18)14-16-10/h5-6,19-20H,1-2H2,(H,11,21)(H,12,22)
InChIKeyMKUQGYURTHZOCW-UHFFFAOYSA-N
MW314.22 g/mol
LogP-2.39
Rot. Bonds7

About 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide

2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide (PubChem CID 18795336) has the molecular formula C8H10N8O6 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide.

Molecular Properties

Compound Name2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide
PubChem CID18795336
Molecular FormulaC8H10N8O6
Molecular Weight314.22 g/mol
Exact Mass314.07
IUPAC Name2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide
SMILES[N-]=[N+]=NC(=O)CNC(=O)C(O)C(O)C(=O)NCC(=O)N=[N+]=[N-]
InChIInChI=1S/C8H10N8O6/c9-15-13-3(17)1-11-7(21)5(19)6(20)8(22)12-2-4(18)14-16-10/h5-6,19-20H,1-2H2,(H,11,21)(H,12,22)
InChIKeyMKUQGYURTHZOCW-UHFFFAOYSA-N
XLogP-2.39
TPSA230.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N,N'-bis(hydroxymethyl)butanediamide
CID 5088002
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide
CID 71384387
2-hydroxyheptanedioyl diazide
CID 142790693
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
2-oxopentanedioyl diazide
CID 142765707
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide
CID 169205481
2-azido-N-propylpropanamide
CID 61373269
2-(1,2,2-tribromocyclohexyl)acetyl azide
CID 54315032
2-ethylpropanedioyl diazide
CID 86655983
2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid
CID 24800405

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide?
The IUPAC name of 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide (CID 18795336) is 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide.
What is the SMILES notation for 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide?
The canonical SMILES for 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide is [N-]=[N+]=NC(=O)CNC(=O)C(O)C(O)C(=O)NCC(=O)N=[N+]=[N-].
What is the InChIKey of 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide?
The InChIKey is MKUQGYURTHZOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O6/c9-15-13-3(17)1-11-7(21)5(19)6(20)8(22)12-2-4(18)14-16-10/h5-6,19-20H,1-2H2,(H,11,21)(H,12,22).
What are the key properties of 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide?
2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide has a molecular weight of 314.22 g/mol, XLogP of -2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide is sourced from PubChem (CID 18795336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).