2-(2,5-dioxopyrrol-1-yl)dodecanoic acid

C16H25NO4 — CID 22114224

IUPAC2-(2,5-dioxopyrrol-1-yl)dodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-10-13(16(20)21)17-14(18)11-12-15(17)19/h11-13H,2-10H2,1H3,(H,20,21)
InChIKeySJZXTXXAWMKCIK-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.90
Rot. Bonds11

About 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid

2-(2,5-dioxopyrrol-1-yl)dodecanoic acid (PubChem CID 22114224) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)dodecanoic acid
PubChem CID22114224
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(2,5-dioxopyrrol-1-yl)dodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-10-13(16(20)21)17-14(18)11-12-15(17)19/h11-13H,2-10H2,1H3,(H,20,21)
InChIKeySJZXTXXAWMKCIK-UHFFFAOYSA-N
XLogP2.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
CID 92656
AM-10
CID 4618600
7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid
CID 10513373
9-(2,5-dioxopyrrol-1-yl)nonanoic Acid
CID 10729548
10-(2,5-dioxopyrrol-1-yl)decanoic Acid
CID 10801786
12-Maleimido-dodecanoic Acid
CID 15256755
Maleimidoundecanoic acid
CID 18477222
Maleimidocaproic acid
CID 22352954
11-[Carboxymethyl(prop-2-enoyl)amino]undecanoic acid
CID 11857915
18-Maleimidooctadecanoic acid
CID 15232944
2-(3-Methyl-2,5-dioxopyrrol-1-yl)undecanoic acid
CID 17793852
6-(2,5-Dioxopyrrol-1-yl)decanoic acid
CID 18512672

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid (CID 22114224) is 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid is CCCCCCCCCCC(C(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
The InChIKey is SJZXTXXAWMKCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-10-13(16(20)21)17-14(18)11-12-15(17)19/h11-13H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
2-(2,5-dioxopyrrol-1-yl)dodecanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)dodecanoic acid is sourced from PubChem (CID 22114224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).