2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid

C14H15NO5 — CID 85158774

IUPAC2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid
SMILESCC(C)CC(ON1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C14H15NO5/c1-8(2)7-11(14(18)19)20-15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)
InChIKeyMDMVYIQIEZUFLJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.71
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid

2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid (PubChem CID 85158774) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid
PubChem CID85158774
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid
SMILESCC(C)CC(ON1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C14H15NO5/c1-8(2)7-11(14(18)19)20-15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)
InChIKeyMDMVYIQIEZUFLJ-UHFFFAOYSA-N
XLogP1.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)oxy-6-(methoxyamino)hexanoic acid
CID 89165362
benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10592122
[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid
CID 134279344
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
methyl (2S,4S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-3-oxoheptanoate
CID 100964211
2-[(1R)-1-phenylsulfanylethoxy]isoindole-1,3-dione
CID 902338
2-(1-phenylsulfanylethoxy)isoindole-1,3-dione
CID 3607435
2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropanoic acid
CID 154181112
[(3S)-3-(1,3-dioxoisoindol-2-yl)-5-methyl-2-oxohexyl] acetate
CID 12031655
methyl (Z)-4-(1,3-dioxoisoindol-2-yl)-3-methoxy-6-methylhept-2-enoate
CID 67404353
tert-butyl (2R)-2-aminooxy-4-methylpentanoate;tert-butyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoate;tert-butyl (2R)-4-methyl-2-[2-[3-[2-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]oxyacetyl]phenyl]-2-oxoethoxy]pentanoate;hydrazine;methane;methanol;hydrate
CID 158166639

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid (CID 85158774) is 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid is CC(C)CC(ON1C(=O)c2ccccc2C1=O)C(=O)O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid?
The InChIKey is MDMVYIQIEZUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8(2)7-11(14(18)19)20-15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid?
2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid is sourced from PubChem (CID 85158774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).