methyl 1-methoxyazetidine-2-carboxylate

C6H11NO3 — CID 559283

IUPACmethyl 1-methoxyazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1OC
InChIInChI=1S/C6H11NO3/c1-9-6(8)5-3-4-7(5)10-2/h5H,3-4H2,1-2H3
InChIKeySHKITGUFZDZRER-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.20
Rot. Bonds2

About methyl 1-methoxyazetidine-2-carboxylate

methyl 1-methoxyazetidine-2-carboxylate (PubChem CID 559283) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 1-methoxyazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxyazetidine-2-carboxylate
PubChem CID559283
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 1-methoxyazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1OC
InChIInChI=1S/C6H11NO3/c1-9-6(8)5-3-4-7(5)10-2/h5H,3-4H2,1-2H3
InChIKeySHKITGUFZDZRER-UHFFFAOYSA-N
XLogP-0.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxyazetidine-2-carboxylate?
The IUPAC name of methyl 1-methoxyazetidine-2-carboxylate (CID 559283) is methyl 1-methoxyazetidine-2-carboxylate.
What is the SMILES notation for methyl 1-methoxyazetidine-2-carboxylate?
The canonical SMILES for methyl 1-methoxyazetidine-2-carboxylate is COC(=O)C1CCN1OC.
What is the InChIKey of methyl 1-methoxyazetidine-2-carboxylate?
The InChIKey is SHKITGUFZDZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-6(8)5-3-4-7(5)10-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 1-methoxyazetidine-2-carboxylate?
methyl 1-methoxyazetidine-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxyazetidine-2-carboxylate is sourced from PubChem (CID 559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).