2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

C8H10O8 — CID 158639361

IUPAC2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCOC(=O)CC1(C(O)C(=O)O)OCOC1=O
InChIInChI=1S/C8H10O8/c1-14-4(9)2-8(5(10)6(11)12)7(13)15-3-16-8/h5,10H,2-3H2,1H3,(H,11,12)
InChIKeyVYMPCVDFEVVFJY-UHFFFAOYSA-N
MW234.16 g/mol
LogP-1.74
Rot. Bonds4

About 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 158639361) has the molecular formula C8H10O8 and a molecular weight of 234.16 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID158639361
Molecular FormulaC8H10O8
Molecular Weight234.16 g/mol
Exact Mass234.04
IUPAC Name2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCOC(=O)CC1(C(O)C(=O)O)OCOC1=O
InChIInChI=1S/C8H10O8/c1-14-4(9)2-8(5(10)6(11)12)7(13)15-3-16-8/h5,10H,2-3H2,1H3,(H,11,12)
InChIKeyVYMPCVDFEVVFJY-UHFFFAOYSA-N
XLogP-1.74
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid with MolForge

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Related Compounds

methyl 2-[(4R)-5-oxo-4-(3-oxopropyl)-1,3-dioxolan-4-yl]acetate
CID 11845883
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
methyl 2-[(2S)-2-methyl-4-oxooxetan-2-yl]acetate
CID 11019132
2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
CID 74432253
methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
CID 130129881
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
methyl 2-[(2S,3S,4R)-4-(benzenesulfonyl)-4-(2-methoxy-2-oxoethyl)-2-methyl-2-(4-methylpentyl)-5-oxooxolan-3-yl]acetate
CID 10367358
methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
CID 138979814
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
alumane;methyl 3-oxobutanoate;bis(propan-2-ol)
CID 174389281

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 158639361) is 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is COC(=O)CC1(C(O)C(=O)O)OCOC1=O.
What is the InChIKey of 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is VYMPCVDFEVVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O8/c1-14-4(9)2-8(5(10)6(11)12)7(13)15-3-16-8/h5,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 234.16 g/mol, XLogP of -1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 158639361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).