2-pyrrolidin-3-ylacetic acid

C6H11NO2 — CID 4125298

IUPAC2-pyrrolidin-3-ylacetic acid
SMILESO=C(O)CC1CCNC1
InChIInChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyOUENRUZPZZFMCA-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds2

About 2-pyrrolidin-3-ylacetic acid

2-pyrrolidin-3-ylacetic acid (PubChem CID 4125298) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylacetic acid.

Molecular Properties

Compound Name2-pyrrolidin-3-ylacetic acid
PubChem CID4125298
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-pyrrolidin-3-ylacetic acid
SMILESO=C(O)CC1CCNC1
InChIInChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyOUENRUZPZZFMCA-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylacetic acid?
The IUPAC name of 2-pyrrolidin-3-ylacetic acid (CID 4125298) is 2-pyrrolidin-3-ylacetic acid.
What is the SMILES notation for 2-pyrrolidin-3-ylacetic acid?
The canonical SMILES for 2-pyrrolidin-3-ylacetic acid is O=C(O)CC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylacetic acid?
The InChIKey is OUENRUZPZZFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of 2-pyrrolidin-3-ylacetic acid?
2-pyrrolidin-3-ylacetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylacetic acid is sourced from PubChem (CID 4125298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).