methyl 1-benzoylazetidine-2-carboxylate

C12H13NO3 — CID 11790682

IUPACmethyl 1-benzoylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(=O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-12(15)10-7-8-13(10)11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyHEONTFHFTGDBAX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.07
Rot. Bonds2

About methyl 1-benzoylazetidine-2-carboxylate

methyl 1-benzoylazetidine-2-carboxylate (PubChem CID 11790682) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 1-benzoylazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzoylazetidine-2-carboxylate
PubChem CID11790682
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 1-benzoylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(=O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-12(15)10-7-8-13(10)11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyHEONTFHFTGDBAX-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzoylazetidine-2-carboxylate?
The IUPAC name of methyl 1-benzoylazetidine-2-carboxylate (CID 11790682) is methyl 1-benzoylazetidine-2-carboxylate.
What is the SMILES notation for methyl 1-benzoylazetidine-2-carboxylate?
The canonical SMILES for methyl 1-benzoylazetidine-2-carboxylate is COC(=O)C1CCN1C(=O)c1ccccc1.
What is the InChIKey of methyl 1-benzoylazetidine-2-carboxylate?
The InChIKey is HEONTFHFTGDBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-12(15)10-7-8-13(10)11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of methyl 1-benzoylazetidine-2-carboxylate?
methyl 1-benzoylazetidine-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzoylazetidine-2-carboxylate is sourced from PubChem (CID 11790682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).