tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate

C8H17N3O3 — CID 56698929

IUPACtert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
SMILESCN(CC(=O)NN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17N3O3/c1-8(2,3)14-7(13)11(4)5-6(12)10-9/h5,9H2,1-4H3,(H,10,12)
InChIKeyVQWBYKYBNLFIPX-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.16
Rot. Bonds2

About tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate

tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate (PubChem CID 56698929) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
PubChem CID56698929
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Nametert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
SMILESCN(CC(=O)NN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17N3O3/c1-8(2,3)14-7(13)11(4)5-6(12)10-9/h5,9H2,1-4H3,(H,10,12)
InChIKeyVQWBYKYBNLFIPX-UHFFFAOYSA-N
XLogP-0.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate (CID 56698929) is tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate is CN(CC(=O)NN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate?
The InChIKey is VQWBYKYBNLFIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-8(2,3)14-7(13)11(4)5-6(12)10-9/h5,9H2,1-4H3,(H,10,12).
What are the key properties of tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate?
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate has a molecular weight of 203.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate is sourced from PubChem (CID 56698929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).