methyl 2-(methylamino)-2-(oxolan-3-yl)acetate

C8H15NO3 — CID 60787733

IUPACmethyl 2-(methylamino)-2-(oxolan-3-yl)acetate
SMILESCNC(C(=O)OC)C1CCOC1
InChIInChI=1S/C8H15NO3/c1-9-7(8(10)11-2)6-3-4-12-5-6/h6-7,9H,3-5H2,1-2H3
InChIKeyXRFXPKCJOIEDIS-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.22
Rot. Bonds3

About methyl 2-(methylamino)-2-(oxolan-3-yl)acetate

methyl 2-(methylamino)-2-(oxolan-3-yl)acetate (PubChem CID 60787733) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-(oxolan-3-yl)acetate
PubChem CID60787733
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(methylamino)-2-(oxolan-3-yl)acetate
SMILESCNC(C(=O)OC)C1CCOC1
InChIInChI=1S/C8H15NO3/c1-9-7(8(10)11-2)6-3-4-12-5-6/h6-7,9H,3-5H2,1-2H3
InChIKeyXRFXPKCJOIEDIS-UHFFFAOYSA-N
XLogP-0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-(oxolan-3-yl)acetate?
The IUPAC name of methyl 2-(methylamino)-2-(oxolan-3-yl)acetate (CID 60787733) is methyl 2-(methylamino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(methylamino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(methylamino)-2-(oxolan-3-yl)acetate is CNC(C(=O)OC)C1CCOC1.
What is the InChIKey of methyl 2-(methylamino)-2-(oxolan-3-yl)acetate?
The InChIKey is XRFXPKCJOIEDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-7(8(10)11-2)6-3-4-12-5-6/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-2-(oxolan-3-yl)acetate?
methyl 2-(methylamino)-2-(oxolan-3-yl)acetate has a molecular weight of 173.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 60787733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).