3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid

C11H9NO6 — CID 131031670

IUPAC3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO6/c13-8(11(16)17)5-18-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4,8,13H,5H2,(H,16,17)
InChIKeySLKVQKLKQZSKOT-UHFFFAOYSA-N
MW251.19 g/mol
LogP-0.34
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid

3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid (PubChem CID 131031670) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
PubChem CID131031670
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO6/c13-8(11(16)17)5-18-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4,8,13H,5H2,(H,16,17)
InChIKeySLKVQKLKQZSKOT-UHFFFAOYSA-N
XLogP-0.34
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid
CID 134279344
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione
CID 715638
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
2-[3-(dibenzylamino)-2-fluoropropoxy]isoindole-1,3-dione
CID 138727419
2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid
CID 85158774
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568118

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid (CID 131031670) is 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid is O=C(O)C(O)CON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid?
The InChIKey is SLKVQKLKQZSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c13-8(11(16)17)5-18-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4,8,13H,5H2,(H,16,17).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid?
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid has a molecular weight of 251.19 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid is sourced from PubChem (CID 131031670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).