tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate

C10H22N2O2 — CID 87168072

IUPACtert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
SMILESCC(C)(CNN)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)6-10(4,5)7-12-11/h12H,6-7,11H2,1-5H3
InChIKeyFCECPXLTOKLTFQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.21
Rot. Bonds4

About tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate

tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate (PubChem CID 87168072) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate.

Molecular Properties

Compound Nametert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
PubChem CID87168072
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
SMILESCC(C)(CNN)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)6-10(4,5)7-12-11/h12H,6-7,11H2,1-5H3
InChIKeyFCECPXLTOKLTFQ-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
tert-butyl 5-bromo-3,3,5-trimethylhexanoate
CID 166705206
tert-butyl 5-bromo-3,3-dimethylpentanoate
CID 167718322
tert-butyl 3-(tert-butylamino)-3-methylbutanoate
CID 173368452
4-O-tert-butyl 1-O-methyl 2,2-diaminobutanedioate
CID 54473599
tert-butyl 3,4-diamino-3-methyl-4-oxobutanoate
CID 56999618
tert-butyl 5-cyano-3,3-dimethylpentanoate
CID 174438691
tert-butyl 3,3,5-trimethylheptanoate
CID 90721899
(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid
CID 159806764
tert-butyl 4-amino-3,3-dimethyl-4-sulfanylidenebutanoate
CID 159433945
(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 156619683

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate?
The IUPAC name of tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate (CID 87168072) is tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate.
What is the SMILES notation for tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate?
The canonical SMILES for tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate is CC(C)(CNN)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate?
The InChIKey is FCECPXLTOKLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)6-10(4,5)7-12-11/h12H,6-7,11H2,1-5H3.
What are the key properties of tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate?
tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate has a molecular weight of 202.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate is sourced from PubChem (CID 87168072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).