[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate

C20H21NO4 — CID 53391770

IUPAC[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H](C)O)C(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-13(22)17-19(24)21(20(17)25-14(2)23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18,20,22H,1-2H3/t13-,17+,20-/m1/s1
InChIKeyDRCBACCTSSAFOR-ASUYLVSUSA-N
MW339.39 g/mol
LogP2.50
Rot. Bonds5

About [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate

[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 53391770) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate
PubChem CID53391770
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H](C)O)C(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-13(22)17-19(24)21(20(17)25-14(2)23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18,20,22H,1-2H3/t13-,17+,20-/m1/s1
InChIKeyDRCBACCTSSAFOR-ASUYLVSUSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate with MolForge

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Related Compounds

[(2R,3R)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-(3-phenylpropanoyl)azetidin-2-yl] acetate
CID 44550695
[(2R,3R)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-(4-phenylbutanoyl)azetidin-2-yl] acetate
CID 44550696
ethyl (3R,4R)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 12168118
Ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate
CID 141103109
(2S,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carbaldehyde
CID 16082489
[(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate
CID 23243968
(3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carbonitrile
CID 134831069
(2S,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylic acid
CID 134835197
[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 134835198
ethyl (3R,4S)-2-oxo-4-phenyl-1-(2-phenylethyl)azetidine-3-carboxylate
CID 135020703
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-[(1S)-1-hydroxyprop-2-enyl]hept-6-enoate
CID 135032594
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-[(1R)-1-hydroxyprop-2-enyl]hept-6-enoate
CID 135032793

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate (CID 53391770) is [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1[C@@H]([C@@H](C)O)C(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is DRCBACCTSSAFOR-ASUYLVSUSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(22)17-19(24)21(20(17)25-14(2)23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18,20,22H,1-2H3/t13-,17+,20-/m1/s1.
What are the key properties of [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate?
[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 339.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 53391770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).