tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate

C12H23NO3 — CID 82835684

IUPACtert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate
SMILESCC1CCC(CNCC(=O)OC(C)(C)C)O1
InChIInChI=1S/C12H23NO3/c1-9-5-6-10(15-9)7-13-8-11(14)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyWXRYAAACWOOJFZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate

tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate (PubChem CID 82835684) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate
PubChem CID82835684
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate
SMILESCC1CCC(CNCC(=O)OC(C)(C)C)O1
InChIInChI=1S/C12H23NO3/c1-9-5-6-10(15-9)7-13-8-11(14)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyWXRYAAACWOOJFZ-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate (CID 82835684) is tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate is CC1CCC(CNCC(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate?
The InChIKey is WXRYAAACWOOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9-5-6-10(15-9)7-13-8-11(14)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate?
tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate is sourced from PubChem (CID 82835684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).