2-(2,5-dioxopyrrolidin-1-yl)butanoic acid

C8H11NO4 — CID 19018226

IUPAC2-(2,5-dioxopyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyZDNGLXCKYXBSRI-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.00
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid

2-(2,5-dioxopyrrolidin-1-yl)butanoic acid (PubChem CID 19018226) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)butanoic acid
PubChem CID19018226
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyZDNGLXCKYXBSRI-UHFFFAOYSA-N
XLogP-0.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2S)-
CID 11607993
2,5-Dioxo-1-pyrrolidineacetic acid
CID 96182
4-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 303583
2-(2,5-Dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
2-(2-Oxopyrrolidin-1-yl)propanoic acid
CID 3018702
2-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 10464751
2-(2,5-Dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
CID 63644827
Succinamic acid, N,N-diethyl-2-(1-pyrrolidinyl)-, DL-
CID 206738
3-Methyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 18410237
2-(3,3-Dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
CID 65298366
2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2R)-
CID 11600747
3,3-Dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 63645323

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid (CID 19018226) is 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid is CCC(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid?
The InChIKey is ZDNGLXCKYXBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)butanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 19018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).