pyrrolidine-3-carboxylic acid

C5H9NO2 — CID 3034645

IUPACpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1
InChIInChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)
InChIKeyJAEIBKXSIXOLOL-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.32
Rot. Bonds1

About pyrrolidine-3-carboxylic acid

pyrrolidine-3-carboxylic acid (PubChem CID 3034645) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Namepyrrolidine-3-carboxylic acid
PubChem CID3034645
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namepyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1
InChIInChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)
InChIKeyJAEIBKXSIXOLOL-UHFFFAOYSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3-carboxylic acid?
The IUPAC name of pyrrolidine-3-carboxylic acid (CID 3034645) is pyrrolidine-3-carboxylic acid.
What is the SMILES notation for pyrrolidine-3-carboxylic acid?
The canonical SMILES for pyrrolidine-3-carboxylic acid is O=C(O)C1CCNC1.
What is the InChIKey of pyrrolidine-3-carboxylic acid?
The InChIKey is JAEIBKXSIXOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of pyrrolidine-3-carboxylic acid?
pyrrolidine-3-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3034645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).