methyl (2R)-azetidine-2-carboxylate;hydrochloride

C5H10ClNO2 — CID 68683921

IUPACmethyl (2R)-azetidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m1./s1
InChIKeyFKHBGZKNRAUKEF-PGMHMLKASA-N
MW151.59 g/mol
LogP-0.06
Rot. Bonds1

About methyl (2R)-azetidine-2-carboxylate;hydrochloride

methyl (2R)-azetidine-2-carboxylate;hydrochloride (PubChem CID 68683921) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is methyl (2R)-azetidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-azetidine-2-carboxylate;hydrochloride
PubChem CID68683921
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Namemethyl (2R)-azetidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m1./s1
InChIKeyFKHBGZKNRAUKEF-PGMHMLKASA-N
XLogP-0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-azetidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R)-azetidine-2-carboxylate;hydrochloride (CID 68683921) is methyl (2R)-azetidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R)-azetidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R)-azetidine-2-carboxylate;hydrochloride is COC(=O)[C@H]1CCN1.Cl.
What is the InChIKey of methyl (2R)-azetidine-2-carboxylate;hydrochloride?
The InChIKey is FKHBGZKNRAUKEF-PGMHMLKASA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m1./s1.
What are the key properties of methyl (2R)-azetidine-2-carboxylate;hydrochloride?
methyl (2R)-azetidine-2-carboxylate;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-azetidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 68683921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).