4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid

C8H11NO4 — CID 14811461

IUPAC4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCCC1=O
InChIInChI=1S/C8H11NO4/c10-6-2-1-5-9(6)7(11)3-4-8(12)13/h1-5H2,(H,12,13)
InChIKeyNTQYLADLFLEGII-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.00
Rot. Bonds3

About 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid

4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid (PubChem CID 14811461) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
PubChem CID14811461
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCCC1=O
InChIInChI=1S/C8H11NO4/c10-6-2-1-5-9(6)7(11)3-4-8(12)13/h1-5H2,(H,12,13)
InChIKeyNTQYLADLFLEGII-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid (CID 14811461) is 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid is O=C(O)CCC(=O)N1CCCC1=O.
What is the InChIKey of 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The InChIKey is NTQYLADLFLEGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-6-2-1-5-9(6)7(11)3-4-8(12)13/h1-5H2,(H,12,13).
What are the key properties of 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
4-oxo-4-(2-oxopyrrolidin-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 4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 14811461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).