methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate

C8H18N2O2 — CID 547871

IUPACmethyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate
SMILESCOC(=O)CC(C)(C)NN(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,9-10(3)4)6-7(11)12-5/h9H,6H2,1-5H3
InChIKeyCIORNMYRHABTIW-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.39
Rot. Bonds4

About methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate

methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate (PubChem CID 547871) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate
PubChem CID547871
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate
SMILESCOC(=O)CC(C)(C)NN(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,9-10(3)4)6-7(11)12-5/h9H,6H2,1-5H3
InChIKeyCIORNMYRHABTIW-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,3-dimethylpentanoate
CID 3757207
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889
methyl 3-[4-(4-methoxy-2-methyl-4-oxobutan-2-yl)piperazin-1-yl]-3-methylbutanoate
CID 50905630
methyl 4,4-difluoro-3,3-dimethylpentanoate
CID 139022480
methyl 3-amino-3-chlorobutanoate
CID 174994558
methyl 3-methyl-3-nitrosobutanoate
CID 552574
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249
methyl 3,3-diethoxybutanoate
CID 176648277
methyl 4-(dimethylamino)-4-methylpentanoate
CID 166717066
methyl 3,3-bis(diethoxyphosphoryl)butanoate
CID 10571418
methyl 5-bromo-3,3,5-trimethylheptanoate
CID 89376029
dimethyl 2-acetyl-2-methylbutanedioate
CID 131852792

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate?
The IUPAC name of methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate (CID 547871) is methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate.
What is the SMILES notation for methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate?
The canonical SMILES for methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate is COC(=O)CC(C)(C)NN(C)C.
What is the InChIKey of methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate?
The InChIKey is CIORNMYRHABTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,9-10(3)4)6-7(11)12-5/h9H,6H2,1-5H3.
What are the key properties of methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate?
methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate has a molecular weight of 174.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethylhydrazinyl)-3-methylbutanoate is sourced from PubChem (CID 547871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).