methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate

C6H10O5 — CID 89008625

IUPACmethyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)CC1OCO1
InChIInChI=1S/C6H10O5/c1-9-6(8)4(7)2-5-10-3-11-5/h4-5,7H,2-3H2,1H3/t4-/m1/s1
InChIKeyGYYXPPUDKYGTLS-SCSAIBSYSA-N
MW162.14 g/mol
LogP-0.76
Rot. Bonds3

About methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate

methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate (PubChem CID 89008625) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate
PubChem CID89008625
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Namemethyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)CC1OCO1
InChIInChI=1S/C6H10O5/c1-9-6(8)4(7)2-5-10-3-11-5/h4-5,7H,2-3H2,1H3/t4-/m1/s1
InChIKeyGYYXPPUDKYGTLS-SCSAIBSYSA-N
XLogP-0.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate (CID 89008625) is methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate is COC(=O)[C@H](O)CC1OCO1.
What is the InChIKey of methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate?
The InChIKey is GYYXPPUDKYGTLS-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10O5/c1-9-6(8)4(7)2-5-10-3-11-5/h4-5,7H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate?
methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate has a molecular weight of 162.14 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate is sourced from PubChem (CID 89008625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).