(2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate

C8H12N2O4 — CID 98117078

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate
SMILESCC[C@H](N)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-2-5(9)8(13)14-10-6(11)3-4-7(10)12/h5H,2-4,9H2,1H3/t5-/m0/s1
InChIKeyUBXJTAWGXMJDCG-YFKPBYRVSA-N
MW200.19 g/mol
LogP-0.67
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate (PubChem CID 98117078) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate
PubChem CID98117078
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate
SMILESCC[C@H](N)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-2-5(9)8(13)14-10-6(11)3-4-7(10)12/h5H,2-4,9H2,1H3/t5-/m0/s1
InChIKeyUBXJTAWGXMJDCG-YFKPBYRVSA-N
XLogP-0.67
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate (CID 98117078) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate is CC[C@H](N)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate?
The InChIKey is UBXJTAWGXMJDCG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-5(9)8(13)14-10-6(11)3-4-7(10)12/h5H,2-4,9H2,1H3/t5-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate has a molecular weight of 200.19 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-aminobutanoate is sourced from PubChem (CID 98117078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).