3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid

C19H19N3O6 — CID 175333441

IUPAC3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(C(=O)O)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H19N3O6/c23-15-4-3-14(16(24)21-15)22-17(25)12-2-1-11(7-13(12)18(22)26)20-8-9-5-10(6-9)19(27)28/h1-2,7,9-10,14,20H,3-6,8H2,(H,27,28)(H,21,23,24)
InChIKeyACCALLBZFNDMIF-UHFFFAOYSA-N
MW385.38 g/mol
LogP0.61
Rot. Bonds5

About 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid

3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 175333441) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID175333441
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(C(=O)O)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H19N3O6/c23-15-4-3-14(16(24)21-15)22-17(25)12-2-1-11(7-13(12)18(22)26)20-8-9-5-10(6-9)19(27)28/h1-2,7,9-10,14,20H,3-6,8H2,(H,27,28)(H,21,23,24)
InChIKeyACCALLBZFNDMIF-UHFFFAOYSA-N
XLogP0.61
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155438872
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
CID 175943061
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166993610
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]acetic acid
CID 171566931
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
CID 175271647
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid (CID 175333441) is 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid is O=C1CCC(N2C(=O)c3ccc(NCC4CC(C(=O)O)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ACCALLBZFNDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c23-15-4-3-14(16(24)21-15)22-17(25)12-2-1-11(7-13(12)18(22)26)20-8-9-5-10(6-9)19(27)28/h1-2,7,9-10,14,20H,3-6,8H2,(H,27,28)(H,21,23,24).
What are the key properties of 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid?
3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 175333441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).