3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid

C17H17N3O6 — CID 171158371

IUPAC3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H17N3O6/c1-19(8-7-13(22)23)10-4-2-3-9-14(10)17(26)20(16(9)25)11-5-6-12(21)18-15(11)24/h2-4,11H,5-8H2,1H3,(H,22,23)(H,18,21,24)
InChIKeySZUJZHWFWVFWCD-UHFFFAOYSA-N
MW359.34 g/mol
LogP-0.00
Rot. Bonds5

About 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid

3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid (PubChem CID 171158371) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
PubChem CID171158371
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H17N3O6/c1-19(8-7-13(22)23)10-4-2-3-9-14(10)17(26)20(16(9)25)11-5-6-12(21)18-15(11)24/h2-4,11H,5-8H2,1H3,(H,22,23)(H,18,21,24)
InChIKeySZUJZHWFWVFWCD-UHFFFAOYSA-N
XLogP-0.00
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
CID 71211499
1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]piperidine-4-carboxylic acid
CID 175660737
6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 166666589
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione
CID 175660820
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]isoindole-1,3-dione
CID 175659786
2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
CID 171158422
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-ethyl-1-methylurea
CID 24896343
2-[3-azidopropyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
CID 171158461
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017
10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
CID 151597791
13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyltridecanoic acid
CID 152564631
4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175658656

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid (CID 171158371) is 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid is CN(CCC(=O)O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid?
The InChIKey is SZUJZHWFWVFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-19(8-7-13(22)23)10-4-2-3-9-14(10)17(26)20(16(9)25)11-5-6-12(21)18-15(11)24/h2-4,11H,5-8H2,1H3,(H,22,23)(H,18,21,24).
What are the key properties of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid?
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid has a molecular weight of 359.34 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 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-4-yl]-methylamino]propanoic acid is sourced from PubChem (CID 171158371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).