tert-butyl (2E)-2-amino-2-chloroiminoacetate

C6H11ClN2O2 — CID 56652484

IUPACtert-butyl (2E)-2-amino-2-chloroiminoacetate
SMILESCC(C)(C)OC(=O)/C(N)=N\Cl
InChIInChI=1S/C6H11ClN2O2/c1-6(2,3)11-5(10)4(8)9-7/h1-3H3,(H2,8,9)
InChIKeyNITJUQAHWXBQTB-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.84
Rot. Bonds

About tert-butyl (2E)-2-amino-2-chloroiminoacetate

tert-butyl (2E)-2-amino-2-chloroiminoacetate (PubChem CID 56652484) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is tert-butyl (2E)-2-amino-2-chloroiminoacetate.

Molecular Properties

Compound Nametert-butyl (2E)-2-amino-2-chloroiminoacetate
PubChem CID56652484
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Nametert-butyl (2E)-2-amino-2-chloroiminoacetate
SMILESCC(C)(C)OC(=O)/C(N)=N\Cl
InChIInChI=1S/C6H11ClN2O2/c1-6(2,3)11-5(10)4(8)9-7/h1-3H3,(H2,8,9)
InChIKeyNITJUQAHWXBQTB-UHFFFAOYSA-N
XLogP0.84
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-2-amino-2-chloroiminoacetate?
The IUPAC name of tert-butyl (2E)-2-amino-2-chloroiminoacetate (CID 56652484) is tert-butyl (2E)-2-amino-2-chloroiminoacetate.
What is the SMILES notation for tert-butyl (2E)-2-amino-2-chloroiminoacetate?
The canonical SMILES for tert-butyl (2E)-2-amino-2-chloroiminoacetate is CC(C)(C)OC(=O)/C(N)=N\Cl.
What is the InChIKey of tert-butyl (2E)-2-amino-2-chloroiminoacetate?
The InChIKey is NITJUQAHWXBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-6(2,3)11-5(10)4(8)9-7/h1-3H3,(H2,8,9).
What are the key properties of tert-butyl (2E)-2-amino-2-chloroiminoacetate?
tert-butyl (2E)-2-amino-2-chloroiminoacetate has a molecular weight of 178.62 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-amino-2-chloroiminoacetate is sourced from PubChem (CID 56652484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).