methyl (2R,4R)-4-methyloxetane-2-carboxylate

C6H10O3 — CID 77068268

IUPACmethyl (2R,4R)-4-methyloxetane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)O1
InChIInChI=1S/C6H10O3/c1-4-3-5(9-4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyRAZMZZIJJUZYCG-RFZPGFLSSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds1

About methyl (2R,4R)-4-methyloxetane-2-carboxylate

methyl (2R,4R)-4-methyloxetane-2-carboxylate (PubChem CID 77068268) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl (2R,4R)-4-methyloxetane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-methyloxetane-2-carboxylate
PubChem CID77068268
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl (2R,4R)-4-methyloxetane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)O1
InChIInChI=1S/C6H10O3/c1-4-3-5(9-4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyRAZMZZIJJUZYCG-RFZPGFLSSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (2R,6S)-4-hydroxyoxane-2,6-dicarboxylate
CID 92523864
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
ethyl (4R)-4-methyloxetane-2-carboxylate
CID 178051520
methyl (3R,4S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylate
CID 145108334
methyl (2S)-4-hydroxy-6-iodooxane-2-carboxylate
CID 154537590
methyl 2-methyl-1,3-dioxolane-4-carboxylate
CID 18964615
methyl (2S,3aS,5R,7aR)-5-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-2-carboxylate
CID 124709767
methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
CID 124745641
methyl 3,7-dioxabicyclo[4.1.0]heptane-4-carboxylate
CID 58683503
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-methyloxetane-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-methyloxetane-2-carboxylate (CID 77068268) is methyl (2R,4R)-4-methyloxetane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-methyloxetane-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-methyloxetane-2-carboxylate is COC(=O)[C@H]1C[C@@H](C)O1.
What is the InChIKey of methyl (2R,4R)-4-methyloxetane-2-carboxylate?
The InChIKey is RAZMZZIJJUZYCG-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-3-5(9-4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of methyl (2R,4R)-4-methyloxetane-2-carboxylate?
methyl (2R,4R)-4-methyloxetane-2-carboxylate has a molecular weight of 130.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-methyloxetane-2-carboxylate is sourced from PubChem (CID 77068268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).