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

C10H13NO4 — CID 65221515

IUPAC2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
SMILESCCCC(CN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-2-3-7(10(14)15)6-11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyGOVGIDGRWCKPFI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.41
Rot. Bonds5

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

2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid (PubChem CID 65221515) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
PubChem CID65221515
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
SMILESCCCC(CN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-2-3-7(10(14)15)6-11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyGOVGIDGRWCKPFI-UHFFFAOYSA-N
XLogP0.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
CID 65222111
2-[(2,7-dioxoazepan-1-yl)methyl]pentanoic acid
CID 65221514
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
2-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]pentanoic acid
CID 103551504
1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
CID 106116952
5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
CID 22078143
2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid
CID 65223862
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid?
The IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid (CID 65221515) is 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid?
The canonical SMILES for 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid is CCCC(CN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid?
The InChIKey is GOVGIDGRWCKPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-3-7(10(14)15)6-11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid?
2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.41, 5 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)methyl]pentanoic acid is sourced from PubChem (CID 65221515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).