2-pyrrolidin-1-ylpropanoic acid

C7H13NO2 — CID 3157177

IUPAC2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)N1CCCC1
InChIInChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyHAEBOIOLDSOIGG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.56
Rot. Bonds2

About 2-pyrrolidin-1-ylpropanoic acid

2-pyrrolidin-1-ylpropanoic acid (PubChem CID 3157177) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropanoic acid
PubChem CID3157177
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)N1CCCC1
InChIInChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyHAEBOIOLDSOIGG-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-pyrrolidin-1-ylpropanoic acid (CID 3157177) is 2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-pyrrolidin-1-ylpropanoic acid is CC(C(=O)O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is HAEBOIOLDSOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-pyrrolidin-1-ylpropanoic acid?
2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 3157177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).