[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate

C8H12N2O4 — CID 95048806

IUPAC[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate
SMILESNCCCC(=O)O[C@H]1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O4/c9-3-1-2-7(12)14-5-4-6(11)10-8(5)13/h5H,1-4,9H2,(H,10,11,13)/t5-/m0/s1
InChIKeySPFAQFFVZBGFPL-YFKPBYRVSA-N
MW200.19 g/mol
LogP-1.32
Rot. Bonds4

About [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate

[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate (PubChem CID 95048806) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate.

Molecular Properties

Compound Name[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate
PubChem CID95048806
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate
SMILESNCCCC(=O)O[C@H]1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O4/c9-3-1-2-7(12)14-5-4-6(11)10-8(5)13/h5H,1-4,9H2,(H,10,11,13)/t5-/m0/s1
InChIKeySPFAQFFVZBGFPL-YFKPBYRVSA-N
XLogP-1.32
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate?
The IUPAC name of [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate (CID 95048806) is [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate.
What is the SMILES notation for [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate?
The canonical SMILES for [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate is NCCCC(=O)O[C@H]1CC(=O)NC1=O.
What is the InChIKey of [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate?
The InChIKey is SPFAQFFVZBGFPL-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2O4/c9-3-1-2-7(12)14-5-4-6(11)10-8(5)13/h5H,1-4,9H2,(H,10,11,13)/t5-/m0/s1.
What are the key properties of [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate?
[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate has a molecular weight of 200.19 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate is sourced from PubChem (CID 95048806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).