methyl 3-(methylamino)oxolane-3-carboxylate

C7H13NO3 — CID 63335847

IUPACmethyl 3-(methylamino)oxolane-3-carboxylate
SMILESCNC1(C(=O)OC)CCOC1
InChIInChI=1S/C7H13NO3/c1-8-7(6(9)10-2)3-4-11-5-7/h8H,3-5H2,1-2H3
InChIKeyWBWXNJQVIADNQY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.46
Rot. Bonds2

About methyl 3-(methylamino)oxolane-3-carboxylate

methyl 3-(methylamino)oxolane-3-carboxylate (PubChem CID 63335847) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 3-(methylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)oxolane-3-carboxylate
PubChem CID63335847
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-(methylamino)oxolane-3-carboxylate
SMILESCNC1(C(=O)OC)CCOC1
InChIInChI=1S/C7H13NO3/c1-8-7(6(9)10-2)3-4-11-5-7/h8H,3-5H2,1-2H3
InChIKeyWBWXNJQVIADNQY-UHFFFAOYSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)oxolane-3-carboxylate?
The IUPAC name of methyl 3-(methylamino)oxolane-3-carboxylate (CID 63335847) is methyl 3-(methylamino)oxolane-3-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)oxolane-3-carboxylate?
The canonical SMILES for methyl 3-(methylamino)oxolane-3-carboxylate is CNC1(C(=O)OC)CCOC1.
What is the InChIKey of methyl 3-(methylamino)oxolane-3-carboxylate?
The InChIKey is WBWXNJQVIADNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-7(6(9)10-2)3-4-11-5-7/h8H,3-5H2,1-2H3.
What are the key properties of methyl 3-(methylamino)oxolane-3-carboxylate?
methyl 3-(methylamino)oxolane-3-carboxylate has a molecular weight of 159.19 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)oxolane-3-carboxylate is sourced from PubChem (CID 63335847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).