2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid

C12H17NO7 — CID 67701766

IUPAC2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid
SMILESO=C(O)CCCCCC(C(=O)O)N1C(=O)CC(O)C1=O
InChIInChI=1S/C12H17NO7/c14-8-6-9(15)13(11(8)18)7(12(19)20)4-2-1-3-5-10(16)17/h7-8,14H,1-6H2,(H,16,17)(H,19,20)
InChIKeyIGLUQCZMSMBVID-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.41
Rot. Bonds8

About 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid

2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid (PubChem CID 67701766) has the molecular formula C12H17NO7 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid
PubChem CID67701766
Molecular FormulaC12H17NO7
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid
SMILESO=C(O)CCCCCC(C(=O)O)N1C(=O)CC(O)C1=O
InChIInChI=1S/C12H17NO7/c14-8-6-9(15)13(11(8)18)7(12(19)20)4-2-1-3-5-10(16)17/h7-8,14H,1-6H2,(H,16,17)(H,19,20)
InChIKeyIGLUQCZMSMBVID-UHFFFAOYSA-N
XLogP-0.41
TPSA132.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

10-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)decanoic acid
CID 18790434
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
(2S)-6-amino-2-[(3R)-3-[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]-2,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 75204116
2-(2,7-dioxoazepan-1-yl)pentanedioic acid
CID 60829501
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)pentanedioic acid
CID 60827716
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036813
3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 68832075
11-[[10-carboxy-1-(2,5-dioxopyrrolidin-1-yl)decyl]disulfanyl]-11-(2,5-dioxopyrrolidin-1-yl)undecanoic acid
CID 87163982
2-(2,4,6-trioxo-1,3-diazinan-1-yl)pentanedioic acid
CID 144538559
1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid
CID 175876863
(4S)-4-[(2-aminoacetyl)amino]-5-[(3R)-1-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]-2,5-dioxopyrrolidin-3-yl]-5-oxopentanoic acid
CID 75204232

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid?
The IUPAC name of 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid (CID 67701766) is 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid.
What is the SMILES notation for 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid?
The canonical SMILES for 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid is O=C(O)CCCCCC(C(=O)O)N1C(=O)CC(O)C1=O.
What is the InChIKey of 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid?
The InChIKey is IGLUQCZMSMBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO7/c14-8-6-9(15)13(11(8)18)7(12(19)20)4-2-1-3-5-10(16)17/h7-8,14H,1-6H2,(H,16,17)(H,19,20).
What are the key properties of 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid?
2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid has a molecular weight of 287.27 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid is sourced from PubChem (CID 67701766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).