methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride

C8H16ClNO3 — CID 75525816

IUPACmethyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride
SMILESCNC1(CC(=O)OC)CCOC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-9-8(3-4-12-6-8)5-7(10)11-2;/h9H,3-6H2,1-2H3;1H
InChIKeyHGHYUMFHLFNNBD-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.35
Rot. Bonds3

About methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride

methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride (PubChem CID 75525816) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride
PubChem CID75525816
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride
SMILESCNC1(CC(=O)OC)CCOC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-9-8(3-4-12-6-8)5-7(10)11-2;/h9H,3-6H2,1-2H3;1H
InChIKeyHGHYUMFHLFNNBD-UHFFFAOYSA-N
XLogP0.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride (CID 75525816) is methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride is CNC1(CC(=O)OC)CCOC1.Cl.
What is the InChIKey of methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride?
The InChIKey is HGHYUMFHLFNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-9-8(3-4-12-6-8)5-7(10)11-2;/h9H,3-6H2,1-2H3;1H.
What are the key properties of methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride?
methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methylamino)oxolan-3-yl]acetate;hydrochloride is sourced from PubChem (CID 75525816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).