6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid

C24H29N3O6 — CID 167036686

IUPAC6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid
SMILESO=C1CCC(N2C(=O)c3cccc(NC4CCCCC(C(=O)O)CCCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H29N3O6/c28-19-13-12-18(21(29)26-19)27-22(30)16-10-5-11-17(20(16)23(27)31)25-15-8-3-1-6-14(24(32)33)7-2-4-9-15/h5,10-11,14-15,18,25H,1-4,6-9,12-13H2,(H,32,33)(H,26,28,29)
InChIKeyRDXHLKWEERJLDO-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.70
Rot. Bonds4

About 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid

6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid (PubChem CID 167036686) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid
PubChem CID167036686
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid
SMILESO=C1CCC(N2C(=O)c3cccc(NC4CCCCC(C(=O)O)CCCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H29N3O6/c28-19-13-12-18(21(29)26-19)27-22(30)16-10-5-11-17(20(16)23(27)31)25-15-8-3-1-6-14(24(32)33)7-2-4-9-15/h5,10-11,14-15,18,25H,1-4,6-9,12-13H2,(H,32,33)(H,26,28,29)
InChIKeyRDXHLKWEERJLDO-UHFFFAOYSA-N
XLogP2.70
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid with MolForge

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Related Compounds

4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
2-(2,6-dioxopiperidin-3-yl)-4-[(4-phenylcycloheptyl)amino]isoindole-1,3-dione
CID 167163834
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 175333442
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexane-1-carboxylate
CID 156735915
4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]butylcarbamic acid
CID 166772056
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705575
butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexane-1-carboxylate
CID 146485021
4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
tert-butyl 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidine-1-carboxylate
CID 138467105
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-[7-(cyclohexylamino)heptylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156788817

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid?
The IUPAC name of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid (CID 167036686) is 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid.
What is the SMILES notation for 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid?
The canonical SMILES for 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid is O=C1CCC(N2C(=O)c3cccc(NC4CCCCC(C(=O)O)CCCC4)c3C2=O)C(=O)N1.
What is the InChIKey of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid?
The InChIKey is RDXHLKWEERJLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c28-19-13-12-18(21(29)26-19)27-22(30)16-10-5-11-17(20(16)23(27)31)25-15-8-3-1-6-14(24(32)33)7-2-4-9-15/h5,10-11,14-15,18,25H,1-4,6-9,12-13H2,(H,32,33)(H,26,28,29).
What are the key properties of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid?
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid has a molecular weight of 455.51 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid is sourced from PubChem (CID 167036686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).