methyl 4-(methylamino)oxane-3-carboxylate

C8H15NO3 — CID 83846285

IUPACmethyl 4-(methylamino)oxane-3-carboxylate
SMILESCNC1CCOCC1C(=O)OC
InChIInChI=1S/C8H15NO3/c1-9-7-3-4-12-5-6(7)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyAKPOGXMQQSUSME-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.22
Rot. Bonds2

About methyl 4-(methylamino)oxane-3-carboxylate

methyl 4-(methylamino)oxane-3-carboxylate (PubChem CID 83846285) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-(methylamino)oxane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)oxane-3-carboxylate
PubChem CID83846285
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-(methylamino)oxane-3-carboxylate
SMILESCNC1CCOCC1C(=O)OC
InChIInChI=1S/C8H15NO3/c1-9-7-3-4-12-5-6(7)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyAKPOGXMQQSUSME-UHFFFAOYSA-N
XLogP-0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

methyl 4-hydroxyoxane-3-carboxylate
CID 82596115
methyl (3S,4S)-4-aminooxane-3-carboxylate;hydrochloride
CID 86346362
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
3-(methylamino)oxan-4-ol
CID 55287171
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
methyl (3R)-oxane-3-carboxylate
CID 86306897
methyl 4-(methylamino)thiolane-3-carboxylate
CID 83846303
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292
methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 112710580
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)oxane-3-carboxylate?
The IUPAC name of methyl 4-(methylamino)oxane-3-carboxylate (CID 83846285) is methyl 4-(methylamino)oxane-3-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)oxane-3-carboxylate?
The canonical SMILES for methyl 4-(methylamino)oxane-3-carboxylate is CNC1CCOCC1C(=O)OC.
What is the InChIKey of methyl 4-(methylamino)oxane-3-carboxylate?
The InChIKey is AKPOGXMQQSUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-7-3-4-12-5-6(7)8(10)11-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 4-(methylamino)oxane-3-carboxylate?
methyl 4-(methylamino)oxane-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)oxane-3-carboxylate is sourced from PubChem (CID 83846285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).