benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate

C18H17NO3 — CID 101153820

IUPACbenzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17-12-19(16(17)11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1
InChIKeySQQMLRGLNMOGEJ-MRXNPFEDSA-N
MW295.34 g/mol
LogP2.82
Rot. Bonds4

About benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate

benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate (PubChem CID 101153820) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
PubChem CID101153820
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namebenzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17-12-19(16(17)11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1
InChIKeySQQMLRGLNMOGEJ-MRXNPFEDSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate (CID 101153820) is benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate is O=C1CN(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1.
What is the InChIKey of benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate?
The InChIKey is SQQMLRGLNMOGEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17-12-19(16(17)11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1.
What are the key properties of benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate?
benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 101153820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).