ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate

C20H23NO3 — CID 141103109

IUPACethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate
SMILESCCOC(=O)CC1(O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO3/c1-2-24-18(22)13-20(23)14-21(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19,23H,2,13-15H2,1H3
InChIKeyOZPMVQSKKVQPKU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.78
Rot. Bonds6

About ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate

ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate (PubChem CID 141103109) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate
PubChem CID141103109
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate
SMILESCCOC(=O)CC1(O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO3/c1-2-24-18(22)13-20(23)14-21(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19,23H,2,13-15H2,1H3
InChIKeyOZPMVQSKKVQPKU-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-(dibenzylamino)-3-methoxypropanoic acid
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1-Benzyl-3-methylazetidine-2-carboxylic acid tert-butyl ester
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tert-butyl (3S)-1-benzyl-3-methylazetidine-2-carboxylate
CID 101791200
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CID 15673911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate (CID 141103109) is ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate is CCOC(=O)CC1(O)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate?
The InChIKey is OZPMVQSKKVQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-24-18(22)13-20(23)14-21(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19,23H,2,13-15H2,1H3.
What are the key properties of ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate?
ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate has a molecular weight of 325.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate is sourced from PubChem (CID 141103109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).