2-[[(2E)-2-diazoacetyl]-methylamino]acetamide

C5H8N4O2 — CID 135801375

IUPAC2-[[(2E)-2-diazoacetyl]-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C5H8N4O2/c1-9(3-4(6)10)5(11)2-8-7/h2H,3H2,1H3,(H2,6,10)
InChIKeyRKCPHZSSJGGPQP-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.77
Rot. Bonds3

About 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide

2-[[(2E)-2-diazoacetyl]-methylamino]acetamide (PubChem CID 135801375) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2E)-2-diazoacetyl]-methylamino]acetamide
PubChem CID135801375
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-[[(2E)-2-diazoacetyl]-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C5H8N4O2/c1-9(3-4(6)10)5(11)2-8-7/h2H,3H2,1H3,(H2,6,10)
InChIKeyRKCPHZSSJGGPQP-UHFFFAOYSA-N
XLogP-1.77
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(2-amino-2-oxoethyl)-methylamino]-4-oxobut-2-enoic acid
CID 43529147
2-amino-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 43374242
3-amino-N-(2-amino-2-oxoethyl)-N,2,2,3-tetramethylbutanamide
CID 65264440
2-[(2-chloroacetyl)-methylamino]acetamide
CID 19981542
N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
CID 63680724
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 43649583
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61198805
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide?
The IUPAC name of 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide (CID 135801375) is 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide?
The canonical SMILES for 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide is CN(CC(N)=O)C(=O)C=[N+]=[N-].
What is the InChIKey of 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide?
The InChIKey is RKCPHZSSJGGPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9(3-4(6)10)5(11)2-8-7/h2H,3H2,1H3,(H2,6,10).
What are the key properties of 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide?
2-[[(2E)-2-diazoacetyl]-methylamino]acetamide has a molecular weight of 156.15 g/mol, XLogP of -1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-diazoacetyl]-methylamino]acetamide is sourced from PubChem (CID 135801375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).