methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate

C8H17N3O3 — CID 87482218

IUPACmethyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate
SMILESCOC(=O)NCC(C)(C)CC(=O)NN
InChIInChI=1S/C8H17N3O3/c1-8(2,4-6(12)11-9)5-10-7(13)14-3/h4-5,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJAOPZGKROZZSTI-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.25
Rot. Bonds4

About methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate

methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate (PubChem CID 87482218) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate
PubChem CID87482218
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Namemethyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate
SMILESCOC(=O)NCC(C)(C)CC(=O)NN
InChIInChI=1S/C8H17N3O3/c1-8(2,4-6(12)11-9)5-10-7(13)14-3/h4-5,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJAOPZGKROZZSTI-UHFFFAOYSA-N
XLogP-0.25
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
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 methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate?
The IUPAC name of methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate (CID 87482218) is methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate.
What is the SMILES notation for methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate?
The canonical SMILES for methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate is COC(=O)NCC(C)(C)CC(=O)NN.
What is the InChIKey of methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate?
The InChIKey is JAOPZGKROZZSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-8(2,4-6(12)11-9)5-10-7(13)14-3/h4-5,9H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate?
methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate has a molecular weight of 203.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate is sourced from PubChem (CID 87482218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).