ethyl (4R)-4-methyloxetane-2-carboxylate

C7H12O3 — CID 178051520

IUPACethyl (4R)-4-methyloxetane-2-carboxylate
SMILESCCOC(=O)C1C[C@@H](C)O1
InChIInChI=1S/C7H12O3/c1-3-9-7(8)6-4-5(2)10-6/h5-6H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyHNGURCVMOJQSFE-LWOQYNTDSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About ethyl (4R)-4-methyloxetane-2-carboxylate

ethyl (4R)-4-methyloxetane-2-carboxylate (PubChem CID 178051520) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl (4R)-4-methyloxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-methyloxetane-2-carboxylate
PubChem CID178051520
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethyl (4R)-4-methyloxetane-2-carboxylate
SMILESCCOC(=O)C1C[C@@H](C)O1
InChIInChI=1S/C7H12O3/c1-3-9-7(8)6-4-5(2)10-6/h5-6H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyHNGURCVMOJQSFE-LWOQYNTDSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate
CID 167716905
ethyl 5-methyloxolane-3-carboxylate
CID 114826154
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
6-O-ethyl 3-O-methyl (1S,3R,5S,6S)-2-oxabicyclo[3.1.0]hexane-3,6-dicarboxylate
CID 101378284
ethyl (2S,5R)-5-methyl-3-oxooxolane-2-carboxylate
CID 15830843
ethyl 4-aminooxane-2-carboxylate
CID 131498894
ethyl (2S,5R)-5-(iodomethyl)oxolane-2-carboxylate
CID 15425786
ethyl 2-methyloxane-4-carboxylate
CID 131105017
ethyl (2R,4S)-4-aminooxane-2-carboxylate
CID 170901195

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-methyloxetane-2-carboxylate?
The IUPAC name of ethyl (4R)-4-methyloxetane-2-carboxylate (CID 178051520) is ethyl (4R)-4-methyloxetane-2-carboxylate.
What is the SMILES notation for ethyl (4R)-4-methyloxetane-2-carboxylate?
The canonical SMILES for ethyl (4R)-4-methyloxetane-2-carboxylate is CCOC(=O)C1C[C@@H](C)O1.
What is the InChIKey of ethyl (4R)-4-methyloxetane-2-carboxylate?
The InChIKey is HNGURCVMOJQSFE-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-9-7(8)6-4-5(2)10-6/h5-6H,3-4H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of ethyl (4R)-4-methyloxetane-2-carboxylate?
ethyl (4R)-4-methyloxetane-2-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-methyloxetane-2-carboxylate is sourced from PubChem (CID 178051520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).