tert-butyl 2-(oxan-4-ylamino)acetate

C11H21NO3 — CID 60824821

IUPACtert-butyl 2-(oxan-4-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNC1CCOCC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)8-12-9-4-6-14-7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyPCTWYKCKMPGYQB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 2-(oxan-4-ylamino)acetate

tert-butyl 2-(oxan-4-ylamino)acetate (PubChem CID 60824821) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-(oxan-4-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(oxan-4-ylamino)acetate
PubChem CID60824821
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-(oxan-4-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNC1CCOCC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)8-12-9-4-6-14-7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyPCTWYKCKMPGYQB-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(oxan-4-ylamino)acetate?
The IUPAC name of tert-butyl 2-(oxan-4-ylamino)acetate (CID 60824821) is tert-butyl 2-(oxan-4-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(oxan-4-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(oxan-4-ylamino)acetate is CC(C)(C)OC(=O)CNC1CCOCC1.
What is the InChIKey of tert-butyl 2-(oxan-4-ylamino)acetate?
The InChIKey is PCTWYKCKMPGYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(13)8-12-9-4-6-14-7-5-9/h9,12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(oxan-4-ylamino)acetate?
tert-butyl 2-(oxan-4-ylamino)acetate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(oxan-4-ylamino)acetate is sourced from PubChem (CID 60824821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).