tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate

C11H21NO3 — CID 82718888

IUPACtert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate
SMILESCC1OCCC1NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8-9(5-6-14-8)12-7-10(13)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyQUTJPVXJSVTSHD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate

tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate (PubChem CID 82718888) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate
PubChem CID82718888
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate
SMILESCC1OCCC1NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8-9(5-6-14-8)12-7-10(13)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyQUTJPVXJSVTSHD-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-[(2-methyloxolan-3-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate (CID 82718888) is tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate is CC1OCCC1NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate?
The InChIKey is QUTJPVXJSVTSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-9(5-6-14-8)12-7-10(13)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate?
tert-butyl 2-[(2-methyloxolan-3-yl)amino]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-[(2-methyloxolan-3-yl)amino]acetate is sourced from PubChem (CID 82718888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).