oxiran-2-yl N-amino-N-hydroxycarbamate

C3H6N2O4 — CID 118556065

IUPACoxiran-2-yl N-amino-N-hydroxycarbamate
SMILESNN(O)C(=O)OC1CO1
InChIInChI=1S/C3H6N2O4/c4-5(7)3(6)9-2-1-8-2/h2,7H,1,4H2
InChIKeyJKKAANHNSUCKHY-UHFFFAOYSA-N
MW134.09 g/mol
LogP-0.96
Rot. Bonds1

About oxiran-2-yl N-amino-N-hydroxycarbamate

oxiran-2-yl N-amino-N-hydroxycarbamate (PubChem CID 118556065) has the molecular formula C3H6N2O4 and a molecular weight of 134.09 g/mol. Its IUPAC name is oxiran-2-yl N-amino-N-hydroxycarbamate.

Molecular Properties

Compound Nameoxiran-2-yl N-amino-N-hydroxycarbamate
PubChem CID118556065
Molecular FormulaC3H6N2O4
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Nameoxiran-2-yl N-amino-N-hydroxycarbamate
SMILESNN(O)C(=O)OC1CO1
InChIInChI=1S/C3H6N2O4/c4-5(7)3(6)9-2-1-8-2/h2,7H,1,4H2
InChIKeyJKKAANHNSUCKHY-UHFFFAOYSA-N
XLogP-0.96
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxan-2-yl N-amino-N-methylcarbamate
CID 175320062
chloromethyl oxiran-2-yl carbonate
CID 174658278
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
oxiran-2-yl (E)-2-methylbut-2-enoate
CID 151801288
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate
CID 167046536
4-O-(2-hydroxyethyl) 1-O-(oxiran-2-yl) 2,2-dimethylbutanedioate
CID 59710700
1-O-[(2R,3R)-3-aminooxetan-2-yl] 2-O-[(2S,3S)-3-aminooxetan-2-yl] oxalate
CID 97161602
1-O-[(2S,3R)-3-aminooxetan-2-yl] 2-O-[(2S,3S)-3-aminooxetan-2-yl] oxalate
CID 99054207
bis(1,4-dioxan-2-yl) propanedioate
CID 66931654
bis(1,4-dioxan-2-yl) butanedioate
CID 174800300
(6-methoxy-4-sulfanyloxan-3-yl) carbamate
CID 85099829

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl N-amino-N-hydroxycarbamate?
The IUPAC name of oxiran-2-yl N-amino-N-hydroxycarbamate (CID 118556065) is oxiran-2-yl N-amino-N-hydroxycarbamate.
What is the SMILES notation for oxiran-2-yl N-amino-N-hydroxycarbamate?
The canonical SMILES for oxiran-2-yl N-amino-N-hydroxycarbamate is NN(O)C(=O)OC1CO1.
What is the InChIKey of oxiran-2-yl N-amino-N-hydroxycarbamate?
The InChIKey is JKKAANHNSUCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O4/c4-5(7)3(6)9-2-1-8-2/h2,7H,1,4H2.
What are the key properties of oxiran-2-yl N-amino-N-hydroxycarbamate?
oxiran-2-yl N-amino-N-hydroxycarbamate has a molecular weight of 134.09 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl N-amino-N-hydroxycarbamate is sourced from PubChem (CID 118556065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).