2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid

C8H11NO3 — CID 23068926

IUPAC2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESC=CC1CCN(CC(=O)O)C1=O
InChIInChI=1S/C8H11NO3/c1-2-6-3-4-9(8(6)12)5-7(10)11/h2,6H,1,3-5H2,(H,10,11)
InChIKeyRRTWWCUPXVRJFP-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.11
Rot. Bonds3

About 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid

2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 23068926) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID23068926
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESC=CC1CCN(CC(=O)O)C1=O
InChIInChI=1S/C8H11NO3/c1-2-6-3-4-9(8(6)12)5-7(10)11/h2,6H,1,3-5H2,(H,10,11)
InChIKeyRRTWWCUPXVRJFP-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid (CID 23068926) is 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid is C=CC1CCN(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is RRTWWCUPXVRJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6-3-4-9(8(6)12)5-7(10)11/h2,6H,1,3-5H2,(H,10,11).
What are the key properties of 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 23068926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).