3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid

C22H28N2O10 — CID 167471229

IUPAC3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O
InChIInChI=1S/C22H28N2O10/c25-17-5-4-15(20(28)23-17)24-21(29)14-2-1-3-16(19(14)22(24)30)34-13-12-33-11-10-32-9-8-31-7-6-18(26)27/h1-3,15,20,28H,4-13H2,(H,23,25)(H,26,27)
InChIKeySQMOOXLZUYQBKX-UHFFFAOYSA-N
MW480.47 g/mol
LogP-0.22
Rot. Bonds14

About 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 167471229) has the molecular formula C22H28N2O10 and a molecular weight of 480.47 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID167471229
Molecular FormulaC22H28N2O10
Molecular Weight480.47 g/mol
Exact Mass480.17
IUPAC Name3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O
InChIInChI=1S/C22H28N2O10/c25-17-5-4-15(20(28)23-17)24-21(29)14-2-1-3-16(19(14)22(24)30)34-13-12-33-11-10-32-9-8-31-7-6-18(26)27/h1-3,15,20,28H,4-13H2,(H,23,25)(H,26,27)
InChIKeySQMOOXLZUYQBKX-UHFFFAOYSA-N
XLogP-0.22
TPSA160.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide
CID 134571952
4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 153358744
3-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 138689178
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017
3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175669276
tert-butyl N-[2-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 167041549
tert-butyl 3-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexoxy]propanoate;3-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexoxy]propanoic acid;methane;2,2,2-trifluoroacetaldehyde
CID 167705202
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
CID 147119845
4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177054509
4-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-oxoethoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 170243307
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155292143

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid (CID 167471229) is 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O.
What is the InChIKey of 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is SQMOOXLZUYQBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O10/c25-17-5-4-15(20(28)23-17)24-21(29)14-2-1-3-16(19(14)22(24)30)34-13-12-33-11-10-32-9-8-31-7-6-18(26)27/h1-3,15,20,28H,4-13H2,(H,23,25)(H,26,27).
What are the key properties of 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 480.47 g/mol, XLogP of -0.22, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 167471229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).