pyrrolidine-3-carboxylic acid;hydrochloride

C5H10ClNO2 — CID 44890816

IUPACpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC1
InChIInChI=1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyOYCLYMMIZJWYJG-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.10
Rot. Bonds1

About pyrrolidine-3-carboxylic acid;hydrochloride

pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 44890816) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namepyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID44890816
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Namepyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC1
InChIInChI=1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyOYCLYMMIZJWYJG-UHFFFAOYSA-N
XLogP0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.10
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;hydrochloride?
The IUPAC name of pyrrolidine-3-carboxylic acid;hydrochloride (CID 44890816) is pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCNC1.
What is the InChIKey of pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is OYCLYMMIZJWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H.
What are the key properties of pyrrolidine-3-carboxylic acid;hydrochloride?
pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.10, 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;hydrochloride is sourced from PubChem (CID 44890816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).