methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate

C8H14O5 — CID 10035416

IUPACmethyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)C(O)CC1(C)OCCO1
InChIInChI=1S/C8H14O5/c1-8(12-3-4-13-8)5-6(9)7(10)11-2/h6,9H,3-5H2,1-2H3
InChIKeyQVAUIXNYNGKWLB-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.33
Rot. Bonds3

About methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate

methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 10035416) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID10035416
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)C(O)CC1(C)OCCO1
InChIInChI=1S/C8H14O5/c1-8(12-3-4-13-8)5-6(9)7(10)11-2/h6,9H,3-5H2,1-2H3
InChIKeyQVAUIXNYNGKWLB-UHFFFAOYSA-N
XLogP-0.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
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Methyl 3,4-O-isopropylidene-L-threonate
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Methyl (4r,5s)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11830206
5-Deoxy-L-arabinonic acid gamma-lactone
CID 11378506
(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid
CID 130948843
3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid
CID 10931724
(S)-5-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 10975778
ethyl (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
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1,3-Dioxolane-2-propanoic acid, 2-methyl-, 2-hydroxyethyl ester
CID 11106457

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 10035416) is methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate is COC(=O)C(O)CC1(C)OCCO1.
What is the InChIKey of methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is QVAUIXNYNGKWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-8(12-3-4-13-8)5-6(9)7(10)11-2/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 190.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 10035416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).