tert-butyl 2-amino-2-ethoxyacetate

C8H17NO3 — CID 151650048

IUPACtert-butyl 2-amino-2-ethoxyacetate
SMILESCCOC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-5-11-6(9)7(10)12-8(2,3)4/h6H,5,9H2,1-4H3
InChIKeyQUIDHOBCCQZKSV-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.65
Rot. Bonds3

About tert-butyl 2-amino-2-ethoxyacetate

tert-butyl 2-amino-2-ethoxyacetate (PubChem CID 151650048) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl 2-amino-2-ethoxyacetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-ethoxyacetate
PubChem CID151650048
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl 2-amino-2-ethoxyacetate
SMILESCCOC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-5-11-6(9)7(10)12-8(2,3)4/h6H,5,9H2,1-4H3
InChIKeyQUIDHOBCCQZKSV-UHFFFAOYSA-N
XLogP0.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-ethoxyacetate?
The IUPAC name of tert-butyl 2-amino-2-ethoxyacetate (CID 151650048) is tert-butyl 2-amino-2-ethoxyacetate.
What is the SMILES notation for tert-butyl 2-amino-2-ethoxyacetate?
The canonical SMILES for tert-butyl 2-amino-2-ethoxyacetate is CCOC(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2-ethoxyacetate?
The InChIKey is QUIDHOBCCQZKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-11-6(9)7(10)12-8(2,3)4/h6H,5,9H2,1-4H3.
What are the key properties of tert-butyl 2-amino-2-ethoxyacetate?
tert-butyl 2-amino-2-ethoxyacetate has a molecular weight of 175.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-ethoxyacetate is sourced from PubChem (CID 151650048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).