methyl 2-(2,2-dimethylhydrazinyl)acetate

C5H12N2O2 — CID 83017417

IUPACmethyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCOC(=O)CNN(C)C
InChIInChI=1S/C5H12N2O2/c1-7(2)6-4-5(8)9-3/h6H,4H2,1-3H3
InChIKeyBMXOYETZVDSOEM-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.77
Rot. Bonds3

About methyl 2-(2,2-dimethylhydrazinyl)acetate

methyl 2-(2,2-dimethylhydrazinyl)acetate (PubChem CID 83017417) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylhydrazinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylhydrazinyl)acetate
PubChem CID83017417
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namemethyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCOC(=O)CNN(C)C
InChIInChI=1S/C5H12N2O2/c1-7(2)6-4-5(8)9-3/h6H,4H2,1-3H3
InChIKeyBMXOYETZVDSOEM-UHFFFAOYSA-N
XLogP-0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(2,2-dimethylhydrazinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetic acid, 2-hydrazinyl-, ethyl ester
CID 12509
Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1)
CID 11593468
Methyl 2-hydrazinylacetate
CID 437107
Methyl hydrazinylacetate--hydrogen chloride (1/1)
CID 24201303
(2-Ethoxy-2-oxoethyl)azaniumylideneazanide
CID 15833082
2-(2,2-Dimethylhydrazinyl)acetic acid
CID 21795931
[(2-Ethoxy-2-oxoethyl)amino]azanium chloride
CID 11789437
Ethyl 2-hydrazinylacetate;hydron;chloride
CID 46912040
[(2-Ethoxy-2-oxoethyl)amino]azanium
CID 50936929
Ethyl 2-[methyl(methylamino)amino]acetate
CID 10606882
Ethyl 2-(2,2-dimethylhydrazinyl)acetate
CID 13803127
Amino-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 20676017

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylhydrazinyl)acetate?
The IUPAC name of methyl 2-(2,2-dimethylhydrazinyl)acetate (CID 83017417) is methyl 2-(2,2-dimethylhydrazinyl)acetate.
What is the SMILES notation for methyl 2-(2,2-dimethylhydrazinyl)acetate?
The canonical SMILES for methyl 2-(2,2-dimethylhydrazinyl)acetate is COC(=O)CNN(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylhydrazinyl)acetate?
The InChIKey is BMXOYETZVDSOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-7(2)6-4-5(8)9-3/h6H,4H2,1-3H3.
What are the key properties of methyl 2-(2,2-dimethylhydrazinyl)acetate?
methyl 2-(2,2-dimethylhydrazinyl)acetate has a molecular weight of 132.16 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylhydrazinyl)acetate is sourced from PubChem (CID 83017417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).