methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate

C10H19NO3S — CID 106163733

IUPACmethyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C)C(CO)SC
InChIInChI=1S/C10H19NO3S/c1-7(9(6-12)15-3)11-5-4-8(11)10(13)14-2/h7-9,12H,4-6H2,1-3H3
InChIKeyNZPUCRRWLORBFR-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.35
Rot. Bonds5

About methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate

methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate (PubChem CID 106163733) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate
PubChem CID106163733
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C)C(CO)SC
InChIInChI=1S/C10H19NO3S/c1-7(9(6-12)15-3)11-5-4-8(11)10(13)14-2/h7-9,12H,4-6H2,1-3H3
InChIKeyNZPUCRRWLORBFR-UHFFFAOYSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate (CID 106163733) is methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate is COC(=O)C1CCN1C(C)C(CO)SC.
What is the InChIKey of methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate?
The InChIKey is NZPUCRRWLORBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(9(6-12)15-3)11-5-4-8(11)10(13)14-2/h7-9,12H,4-6H2,1-3H3.
What are the key properties of methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate?
methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate has a molecular weight of 233.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate is sourced from PubChem (CID 106163733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).