tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate

C8H18N4O2 — CID 134372105

IUPACtert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate
SMILESCC(C)(C)OC(=O)CC/C(N)=N/NN
InChIInChI=1S/C8H18N4O2/c1-8(2,3)14-7(13)5-4-6(9)11-12-10/h12H,4-5,10H2,1-3H3,(H2,9,11)
InChIKeyBGIVSIGOBFCNBT-UHFFFAOYSA-N
MW202.26 g/mol
LogP-0.16
Rot. Bonds4

About tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate

tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate (PubChem CID 134372105) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate.

Molecular Properties

Compound Nametert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate
PubChem CID134372105
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Nametert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate
SMILESCC(C)(C)OC(=O)CC/C(N)=N/NN
InChIInChI=1S/C8H18N4O2/c1-8(2,3)14-7(13)5-4-6(9)11-12-10/h12H,4-5,10H2,1-3H3,(H2,9,11)
InChIKeyBGIVSIGOBFCNBT-UHFFFAOYSA-N
XLogP-0.16
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
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tert-butyl 4-(ethylamino)-4-oxobutanoate
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tert-butyl 5-amino-5-bromo-4-oxopentanoate
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[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 4-oxo-4-(sulfanylamino)butanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate?
The IUPAC name of tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate (CID 134372105) is tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate.
What is the SMILES notation for tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate?
The canonical SMILES for tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate is CC(C)(C)OC(=O)CC/C(N)=N/NN.
What is the InChIKey of tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate?
The InChIKey is BGIVSIGOBFCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-8(2,3)14-7(13)5-4-6(9)11-12-10/h12H,4-5,10H2,1-3H3,(H2,9,11).
What are the key properties of tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate?
tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate has a molecular weight of 202.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate is sourced from PubChem (CID 134372105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).