5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid

C16H18N2O6 — CID 22078143

IUPAC5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
SMILESO=C(O)C(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-1-3-11(16(23)24)4-2-10-18-14(21)7-8-15(18)22/h5-8,11H,1-4,9-10H2,(H,23,24)
InChIKeyUDMDRYBZZLOFOO-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.10
Rot. Bonds9

About 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid

5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid (PubChem CID 22078143) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
PubChem CID22078143
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
SMILESO=C(O)C(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-1-3-11(16(23)24)4-2-10-18-14(21)7-8-15(18)22/h5-8,11H,1-4,9-10H2,(H,23,24)
InChIKeyUDMDRYBZZLOFOO-UHFFFAOYSA-N
XLogP0.10
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
CID 104683053
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 131866140
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
4-[4-(2,5-dioxopyrrol-1-yl)butyl]pent-2-enedioic acid
CID 66635983
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
CID 65221515
tricalcium;bis(4-[4-(2,5-dioxopyrrol-1-yl)butyl]pent-2-enedioic acid);hydride
CID 173003249
2,6-bis(2,5-dioxopyrrol-1-yl)hexanoic acid;1-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione;1-[(2,5-dioxopyrrol-1-yl)methoxymethyl]pyrrole-2,5-dione
CID 159525220
6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
CID 68727226

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid (CID 22078143) is 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid is O=C(O)C(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid?
The InChIKey is UDMDRYBZZLOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-1-3-11(16(23)24)4-2-10-18-14(21)7-8-15(18)22/h5-8,11H,1-4,9-10H2,(H,23,24).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid?
5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid has a molecular weight of 334.33 g/mol, XLogP of 0.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid is sourced from PubChem (CID 22078143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).