2-methylazetidine-2-carboxylic acid;hydrochloride

C5H10ClNO2 — CID 70557228

IUPAC2-methylazetidine-2-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCN1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-5(4(7)8)2-3-6-5;/h6H,2-3H2,1H3,(H,7,8);1H
InChIKeySYBYUKGHCHFUGQ-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.24
Rot. Bonds1

About 2-methylazetidine-2-carboxylic acid;hydrochloride

2-methylazetidine-2-carboxylic acid;hydrochloride (PubChem CID 70557228) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2-methylazetidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methylazetidine-2-carboxylic acid;hydrochloride
PubChem CID70557228
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2-methylazetidine-2-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCN1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-5(4(7)8)2-3-6-5;/h6H,2-3H2,1H3,(H,7,8);1H
InChIKeySYBYUKGHCHFUGQ-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-methylazetidine-2-carboxylic acid;hydrochloride (CID 70557228) is 2-methylazetidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methylazetidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methylazetidine-2-carboxylic acid;hydrochloride is CC1(C(=O)O)CCN1.Cl.
What is the InChIKey of 2-methylazetidine-2-carboxylic acid;hydrochloride?
The InChIKey is SYBYUKGHCHFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-5(4(7)8)2-3-6-5;/h6H,2-3H2,1H3,(H,7,8);1H.
What are the key properties of 2-methylazetidine-2-carboxylic acid;hydrochloride?
2-methylazetidine-2-carboxylic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazetidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).