benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate

C17H17NO3 — CID 10826827

IUPACbenzyl 3-hydroxy-3-phenylazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(O)(c2ccccc2)C1
InChIInChI=1S/C17H17NO3/c19-16(21-11-14-7-3-1-4-8-14)18-12-17(20,13-18)15-9-5-2-6-10-15/h1-10,20H,11-13H2
InChIKeyHYDHGOBELKSVAP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.53
Rot. Bonds3

About benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate

benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate (PubChem CID 10826827) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-3-phenylazetidine-1-carboxylate
PubChem CID10826827
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzyl 3-hydroxy-3-phenylazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(O)(c2ccccc2)C1
InChIInChI=1S/C17H17NO3/c19-16(21-11-14-7-3-1-4-8-14)18-12-17(20,13-18)15-9-5-2-6-10-15/h1-10,20H,11-13H2
InChIKeyHYDHGOBELKSVAP-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate (CID 10826827) is benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(O)(c2ccccc2)C1.
What is the InChIKey of benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate?
The InChIKey is HYDHGOBELKSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(21-11-14-7-3-1-4-8-14)18-12-17(20,13-18)15-9-5-2-6-10-15/h1-10,20H,11-13H2.
What are the key properties of benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate?
benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate is sourced from PubChem (CID 10826827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).