2-(4-acetylpyrrolidin-3-yl)acetic acid

C8H13NO3 — CID 45085789

IUPAC2-(4-acetylpyrrolidin-3-yl)acetic acid
SMILESCC(=O)C1CNCC1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-5(10)7-4-9-3-6(7)2-8(11)12/h6-7,9H,2-4H2,1H3,(H,11,12)
InChIKeyCHZJLEPJFNWKLL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.11
Rot. Bonds3

About 2-(4-acetylpyrrolidin-3-yl)acetic acid

2-(4-acetylpyrrolidin-3-yl)acetic acid (PubChem CID 45085789) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(4-acetylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-acetylpyrrolidin-3-yl)acetic acid
PubChem CID45085789
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(4-acetylpyrrolidin-3-yl)acetic acid
SMILESCC(=O)C1CNCC1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-5(10)7-4-9-3-6(7)2-8(11)12/h6-7,9H,2-4H2,1H3,(H,11,12)
InChIKeyCHZJLEPJFNWKLL-UHFFFAOYSA-N
XLogP-0.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-acetylpyrrolidin-3-yl)acetic acid (CID 45085789) is 2-(4-acetylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-acetylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-acetylpyrrolidin-3-yl)acetic acid is CC(=O)C1CNCC1CC(=O)O.
What is the InChIKey of 2-(4-acetylpyrrolidin-3-yl)acetic acid?
The InChIKey is CHZJLEPJFNWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)7-4-9-3-6(7)2-8(11)12/h6-7,9H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(4-acetylpyrrolidin-3-yl)acetic acid?
2-(4-acetylpyrrolidin-3-yl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 45085789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).