methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate

C10H14O5 — CID 146683520

IUPACmethyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CC(OC)=CC(=O)O1
InChIInChI=1S/C10H14O5/c1-13-8-5-7(15-10(12)6-8)3-4-9(11)14-2/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDYHBTQZJZALBJG-SSDOTTSWSA-N
MW214.22 g/mol
LogP0.79
Rot. Bonds4

About methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate

methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate (PubChem CID 146683520) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate
PubChem CID146683520
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CC(OC)=CC(=O)O1
InChIInChI=1S/C10H14O5/c1-13-8-5-7(15-10(12)6-8)3-4-9(11)14-2/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDYHBTQZJZALBJG-SSDOTTSWSA-N
XLogP0.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate?
The IUPAC name of methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate (CID 146683520) is methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate is COC(=O)CC[C@@H]1CC(OC)=CC(=O)O1.
What is the InChIKey of methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate?
The InChIKey is DYHBTQZJZALBJG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14O5/c1-13-8-5-7(15-10(12)6-8)3-4-9(11)14-2/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate?
methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate has a molecular weight of 214.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propanoate is sourced from PubChem (CID 146683520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).