tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate

C14H25NO5 — CID 126827438

IUPACtert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate
SMILESCOCC(=O)N(CC(=O)OC(C)(C)C)C1CCOCC1
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(17)9-15(12(16)10-18-4)11-5-7-19-8-6-11/h11H,5-10H2,1-4H3
InChIKeyBOXSQGSULUHHJO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.98
Rot. Bonds5

About tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate

tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate (PubChem CID 126827438) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate
PubChem CID126827438
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate
SMILESCOCC(=O)N(CC(=O)OC(C)(C)C)C1CCOCC1
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(17)9-15(12(16)10-18-4)11-5-7-19-8-6-11/h11H,5-10H2,1-4H3
InChIKeyBOXSQGSULUHHJO-UHFFFAOYSA-N
XLogP0.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate (CID 126827438) is tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate is COCC(=O)N(CC(=O)OC(C)(C)C)C1CCOCC1.
What is the InChIKey of tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate?
The InChIKey is BOXSQGSULUHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-14(2,3)20-13(17)9-15(12(16)10-18-4)11-5-7-19-8-6-11/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate?
tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate has a molecular weight of 287.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate is sourced from PubChem (CID 126827438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).