azidomethyl N-aminocarbamate

C2H5N5O2 — CID 118181996

IUPACazidomethyl N-aminocarbamate
SMILES[N-]=[N+]=NCOC(=O)NN
InChIInChI=1S/C2H5N5O2/c3-6-2(8)9-1-5-7-4/h1,3H2,(H,6,8)
InChIKeyZRFNTKPHCYIEJR-UHFFFAOYSA-N
MW131.10 g/mol
LogP-0.15
Rot. Bonds2

About azidomethyl N-aminocarbamate

azidomethyl N-aminocarbamate (PubChem CID 118181996) has the molecular formula C2H5N5O2 and a molecular weight of 131.10 g/mol. Its IUPAC name is azidomethyl N-aminocarbamate.

Molecular Properties

Compound Nameazidomethyl N-aminocarbamate
PubChem CID118181996
Molecular FormulaC2H5N5O2
Molecular Weight131.10 g/mol
Exact Mass131.04
IUPAC Nameazidomethyl N-aminocarbamate
SMILES[N-]=[N+]=NCOC(=O)NN
InChIInChI=1S/C2H5N5O2/c3-6-2(8)9-1-5-7-4/h1,3H2,(H,6,8)
InChIKeyZRFNTKPHCYIEJR-UHFFFAOYSA-N
XLogP-0.15
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azidomethyl hydrogen carbonate
CID 150627591
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate
CID 118283829
bis(azidomethyl) pentanedioate
CID 118634110
azidomethyl 3-methylbutanoate
CID 152605157
3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid
CID 126711877
azidomethyl 2,3-dihydroxypropanoate
CID 126711905
azido(azidomethoxy)methane
CID 86050261
2-azido-N-methoxyacetamide
CID 150686867
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
CID 59749614
1,2-bis(azidomethoxy)ethane
CID 118152054
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 44508056

Frequently Asked Questions

What is the IUPAC name of azidomethyl N-aminocarbamate?
The IUPAC name of azidomethyl N-aminocarbamate (CID 118181996) is azidomethyl N-aminocarbamate.
What is the SMILES notation for azidomethyl N-aminocarbamate?
The canonical SMILES for azidomethyl N-aminocarbamate is [N-]=[N+]=NCOC(=O)NN.
What is the InChIKey of azidomethyl N-aminocarbamate?
The InChIKey is ZRFNTKPHCYIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5O2/c3-6-2(8)9-1-5-7-4/h1,3H2,(H,6,8).
What are the key properties of azidomethyl N-aminocarbamate?
azidomethyl N-aminocarbamate has a molecular weight of 131.10 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethyl N-aminocarbamate is sourced from PubChem (CID 118181996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).