methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate

C10H16O5 — CID 11458581

IUPACmethyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H]([C@@H](C)C(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-6(9(11)13-2)7-4-5-8(15-7)10(12)14-3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKeyDVFCPFBPISELHJ-GJMOJQLCSA-N
MW216.23 g/mol
LogP0.52
Rot. Bonds3

About methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate

methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate (PubChem CID 11458581) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate
PubChem CID11458581
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H]([C@@H](C)C(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-6(9(11)13-2)7-4-5-8(15-7)10(12)14-3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKeyDVFCPFBPISELHJ-GJMOJQLCSA-N
XLogP0.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate with MolForge

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Related Compounds

Liguhodgcins B
CID 60154790
methyl (2S,4S,5R)-5-acetyloxy-2-[(1R)-1-methoxyethyl]-4,5-dimethyl-6-oxooxane-2-carboxylate
CID 163023815
dimethyl (2R,6S)-5-hydroxyoxepane-2,6-dicarboxylate
CID 101417171
trimethyl (3S,3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1,1,3-tricarboxylate
CID 102529609
ethyl (5S)-5-[(2S)-2-methylbutyl]-1,3,2-dioxathiolane-4-carboxylate
CID 135039988
ethyl 2-[(2S,3S,5R)-5-ethyl-2-pentyloxolan-3-yl]-2-oxoacetate
CID 146161984
diethyl 2-[2-[(2R)-5-oxooxolan-2-yl]ethyl]propanedioate
CID 155934350
Methyl 5-acetyloxy-2-(1-methoxyethyl)-4,5-dimethyl-6-oxooxane-2-carboxylate
CID 163023814
Ethyl 3-oxo-1-oxaspiro[4.5]decane-2-carboxylate
CID 11401878
Methyl 2-(2-methoxy-2-oxoethyl)-5,5-dimethyloxolane-2-carboxylate
CID 21573042
Ethyl 3-oxo-1-oxaspiro[4.4]nonane-2-carboxylate
CID 21669376
methyl (2R,3S,5R,6R)-2,5,6-trimethyl-8-oxo-1,7-dioxaspiro[2.5]octane-6-carboxylate
CID 71466390

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate?
The IUPAC name of methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate (CID 11458581) is methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate is COC(=O)[C@H]1CC[C@@H]([C@@H](C)C(=O)OC)O1.
What is the InChIKey of methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate?
The InChIKey is DVFCPFBPISELHJ-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(9(11)13-2)7-4-5-8(15-7)10(12)14-3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1.
What are the key properties of methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate?
methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate is sourced from PubChem (CID 11458581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).