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

C8H13NO3 — CID 3146689

IUPAC4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC1=O
InChIInChI=1S/C8H13NO3/c10-7-3-1-5-9(7)6-2-4-8(11)12/h1-6H2,(H,11,12)
InChIKeyWRDMYTORSDPYMO-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds4

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

4-(2-oxopyrrolidin-1-yl)butanoic acid (PubChem CID 3146689) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)butanoic acid
PubChem CID3146689
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC1=O
InChIInChI=1S/C8H13NO3/c10-7-3-1-5-9(7)6-2-4-8(11)12/h1-6H2,(H,11,12)
InChIKeyWRDMYTORSDPYMO-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)butanoic acid (CID 3146689) is 4-(2-oxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)butanoic acid is O=C(O)CCCN1CCCC1=O.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)butanoic acid?
The InChIKey is WRDMYTORSDPYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-3-1-5-9(7)6-2-4-8(11)12/h1-6H2,(H,11,12).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)butanoic acid?
4-(2-oxopyrrolidin-1-yl)butanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 3146689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).