2-(5-oxopyrrolidin-2-yl)acetic acid

C6H9NO3 — CID 25098

IUPAC2-(5-oxopyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CCC(=O)N1
InChIInChI=1S/C6H9NO3/c8-5-2-1-4(7-5)3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyLRKCFWRBMYJRIK-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.26
Rot. Bonds2

About 2-(5-oxopyrrolidin-2-yl)acetic acid

2-(5-oxopyrrolidin-2-yl)acetic acid (PubChem CID 25098) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-2-yl)acetic acid
PubChem CID25098
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(5-oxopyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CCC(=O)N1
InChIInChI=1S/C6H9NO3/c8-5-2-1-4(7-5)3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyLRKCFWRBMYJRIK-UHFFFAOYSA-N
XLogP-0.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(5-oxopyrrolidin-2-yl)acetic acid (CID 25098) is 2-(5-oxopyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-oxopyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(5-oxopyrrolidin-2-yl)acetic acid is O=C(O)CC1CCC(=O)N1.
What is the InChIKey of 2-(5-oxopyrrolidin-2-yl)acetic acid?
The InChIKey is LRKCFWRBMYJRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-2-1-4(7-5)3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-(5-oxopyrrolidin-2-yl)acetic acid?
2-(5-oxopyrrolidin-2-yl)acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 25098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).