azetidine-2-carboxylic acid;hydrochloride

C4H8ClNO2 — CID 45358168

IUPACazetidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN1
InChIInChI=1S/C4H7NO2.ClH/c6-4(7)3-1-2-5-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKeyLPAHPJVNLPAUNC-UHFFFAOYSA-N
MW137.57 g/mol
LogP-0.15
Rot. Bonds1

About azetidine-2-carboxylic acid;hydrochloride

azetidine-2-carboxylic acid;hydrochloride (PubChem CID 45358168) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is azetidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nameazetidine-2-carboxylic acid;hydrochloride
PubChem CID45358168
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Nameazetidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN1
InChIInChI=1S/C4H7NO2.ClH/c6-4(7)3-1-2-5-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKeyLPAHPJVNLPAUNC-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
(2R)-piperidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of azetidine-2-carboxylic acid;hydrochloride?
The IUPAC name of azetidine-2-carboxylic acid;hydrochloride (CID 45358168) is azetidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for azetidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for azetidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN1.
What is the InChIKey of azetidine-2-carboxylic acid;hydrochloride?
The InChIKey is LPAHPJVNLPAUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c6-4(7)3-1-2-5-3;/h3,5H,1-2H2,(H,6,7);1H.
What are the key properties of azetidine-2-carboxylic acid;hydrochloride?
azetidine-2-carboxylic acid;hydrochloride has a molecular weight of 137.57 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45358168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).