4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid

C11H18N2O4 — CID 19895919

IUPAC4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H18N2O4/c14-9(4-5-11(16)17)12-6-2-8-13-7-1-3-10(13)15/h1-8H2,(H,12,14)(H,16,17)
InChIKeyLUYZUGJRRJDDTA-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds7

About 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid

4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid (PubChem CID 19895919) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid
PubChem CID19895919
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H18N2O4/c14-9(4-5-11(16)17)12-6-2-8-13-7-1-3-10(13)15/h1-8H2,(H,12,14)(H,16,17)
InChIKeyLUYZUGJRRJDDTA-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid (CID 19895919) is 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid is O=C(O)CCC(=O)NCCCN1CCCC1=O.
What is the InChIKey of 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid?
The InChIKey is LUYZUGJRRJDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-9(4-5-11(16)17)12-6-2-8-13-7-1-3-10(13)15/h1-8H2,(H,12,14)(H,16,17).
What are the key properties of 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid?
4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoic acid is sourced from PubChem (CID 19895919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).