amino carbamoperoxoate

CH4N2O3 — CID 154219003

IUPACamino carbamoperoxoate
SMILESNOOC(N)=O
InChIInChI=1S/CH4N2O3/c2-1(4)5-6-3/h3H2,(H2,2,4)
InChIKeyAKRNEWPPYGJHKV-UHFFFAOYSA-N
MW92.05 g/mol
LogP-1.11
Rot. Bonds1

About amino carbamoperoxoate

amino carbamoperoxoate (PubChem CID 154219003) has the molecular formula CH4N2O3 and a molecular weight of 92.05 g/mol. Its IUPAC name is amino carbamoperoxoate.

Molecular Properties

Compound Nameamino carbamoperoxoate
PubChem CID154219003
Molecular FormulaCH4N2O3
Molecular Weight92.05 g/mol
Exact Mass92.02
IUPAC Nameamino carbamoperoxoate
SMILESNOOC(N)=O
InChIInChI=1S/CH4N2O3/c2-1(4)5-6-3/h3H2,(H2,2,4)
InChIKeyAKRNEWPPYGJHKV-UHFFFAOYSA-N
XLogP-1.11
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.05
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

disodium;carbamoyl carbamoperoxoate;hydride
CID 173126478
aminooxy hydrogen carbonate
CID 141080921
sulfanyl carbamoperoxoate
CID 138459846
ruthenium;urea
CID 161030938
carbamoyl carbamate;dihydrochloride
CID 175326234
[dicarbamoyloxy(tricarbamoyloxymethoxy)methyl] carbamate
CID 163462835
diamino(113C)methanone
CID 636363
3-iodoprop-1-ynyl carbamoperoxoate
CID 88504916
carbamoyloxysulfanyl carbamate
CID 54354382
carbamoyloxyselanyl carbamate
CID 140970798
barium(2+);urea
CID 22402807
azanium urea
CID 22635082

Frequently Asked Questions

What is the IUPAC name of amino carbamoperoxoate?
The IUPAC name of amino carbamoperoxoate (CID 154219003) is amino carbamoperoxoate.
What is the SMILES notation for amino carbamoperoxoate?
The canonical SMILES for amino carbamoperoxoate is NOOC(N)=O.
What is the InChIKey of amino carbamoperoxoate?
The InChIKey is AKRNEWPPYGJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O3/c2-1(4)5-6-3/h3H2,(H2,2,4).
What are the key properties of amino carbamoperoxoate?
amino carbamoperoxoate has a molecular weight of 92.05 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino carbamoperoxoate is sourced from PubChem (CID 154219003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).