3-pyrrolidin-2-ylpropanoic acid

C7H13NO2 — CID 550965

IUPAC3-pyrrolidin-2-ylpropanoic acid
SMILESO=C(O)CCC1CCCN1
InChIInChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)
InChIKeyHIDODKLFTVMWQL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds3

About 3-pyrrolidin-2-ylpropanoic acid

3-pyrrolidin-2-ylpropanoic acid (PubChem CID 550965) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-pyrrolidin-2-ylpropanoic acid
PubChem CID550965
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-pyrrolidin-2-ylpropanoic acid
SMILESO=C(O)CCC1CCCN1
InChIInChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)
InChIKeyHIDODKLFTVMWQL-UHFFFAOYSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylpropanoic acid?
The IUPAC name of 3-pyrrolidin-2-ylpropanoic acid (CID 550965) is 3-pyrrolidin-2-ylpropanoic acid.
What is the SMILES notation for 3-pyrrolidin-2-ylpropanoic acid?
The canonical SMILES for 3-pyrrolidin-2-ylpropanoic acid is O=C(O)CCC1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-ylpropanoic acid?
The InChIKey is HIDODKLFTVMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 3-pyrrolidin-2-ylpropanoic acid?
3-pyrrolidin-2-ylpropanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylpropanoic acid is sourced from PubChem (CID 550965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).