4-oxoazetidine-2-carboxylic acid;hydrochloride

C4H6ClNO3 — CID 162462480

IUPAC4-oxoazetidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C1CC(C(=O)O)N1
InChIInChI=1S/C4H5NO3.ClH/c6-3-1-2(5-3)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);1H
InChIKeyNNXFEKMBEXAIFS-UHFFFAOYSA-N
MW151.55 g/mol
LogP-0.62
Rot. Bonds1

About 4-oxoazetidine-2-carboxylic acid;hydrochloride

4-oxoazetidine-2-carboxylic acid;hydrochloride (PubChem CID 162462480) has the molecular formula C4H6ClNO3 and a molecular weight of 151.55 g/mol. Its IUPAC name is 4-oxoazetidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-oxoazetidine-2-carboxylic acid;hydrochloride
PubChem CID162462480
Molecular FormulaC4H6ClNO3
Molecular Weight151.55 g/mol
Exact Mass151.00
IUPAC Name4-oxoazetidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C1CC(C(=O)O)N1
InChIInChI=1S/C4H5NO3.ClH/c6-3-1-2(5-3)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);1H
InChIKeyNNXFEKMBEXAIFS-UHFFFAOYSA-N
XLogP-0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.55
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
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4-oxoazetidine-2-carboxylate
CID 22451625
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Frequently Asked Questions

What is the IUPAC name of 4-oxoazetidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-oxoazetidine-2-carboxylic acid;hydrochloride (CID 162462480) is 4-oxoazetidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-oxoazetidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-oxoazetidine-2-carboxylic acid;hydrochloride is Cl.O=C1CC(C(=O)O)N1.
What is the InChIKey of 4-oxoazetidine-2-carboxylic acid;hydrochloride?
The InChIKey is NNXFEKMBEXAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.ClH/c6-3-1-2(5-3)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);1H.
What are the key properties of 4-oxoazetidine-2-carboxylic acid;hydrochloride?
4-oxoazetidine-2-carboxylic acid;hydrochloride has a molecular weight of 151.55 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoazetidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 162462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).