(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one

C20H23NO4 — CID 134835196

IUPAC(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1[C@@H](O)CO
InChIInChI=1S/C20H23NO4/c1-13(23)17-19(16(24)12-22)21(20(17)25)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-19,22-24H,12H2,1H3/t13-,16+,17-,19-/m1/s1
InChIKeyQWDBFKZEQNVIAK-WCMCAJIFSA-N
MW341.41 g/mol
LogP1.34
Rot. Bonds6

About (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one

(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 134835196) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID134835196
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1[C@@H](O)CO
InChIInChI=1S/C20H23NO4/c1-13(23)17-19(16(24)12-22)21(20(17)25)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-19,22-24H,12H2,1H3/t13-,16+,17-,19-/m1/s1
InChIKeyQWDBFKZEQNVIAK-WCMCAJIFSA-N
XLogP1.34
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one with MolForge

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Related Compounds

(3S,4S)-1-Benzhydryl-4-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(S)-1-hydroxyethyl]-2-azetidinone
CID 53391767
(3S,4S)-1-benzhydryl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 53391769
(2S,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylic acid
CID 134835197
[(1R)-1-[(2S,3S)-1-benzhydryl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]ethyl] acetate
CID 134835200
(3S,4S)-1-benzyl-3-fluoro-3-(1-hydroxyethyl)-4-phenylazetidin-2-one
CID 72190988
(3S,4S)-1-benzyl-3-fluoro-3-(1-hydroxy-2-methylpropyl)-4-phenylazetidin-2-one
CID 72190989
(3S,4S)-1-Benzyl-3-[(1S)-1-hydroxyethyl]-4-(2-phenylvinyl)-2-azetidinone
CID 15298189
(3S,4R)-1-benzyl-3-(hydroxymethyl)-4-phenylazetidin-2-one
CID 21575300
(3R,4R)-1-benzyl-3-(hydroxymethyl)-4-phenylazetidin-2-one
CID 21575301
(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one
CID 13130101
(3S,4S)-4-(1-hydroxybut-3-enyl)-1-[(1S)-1-phenylethyl]-3-propan-2-ylazetidin-2-one
CID 53890782
(3S,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 57228172

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 134835196) is (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1[C@@H](O)CO.
What is the InChIKey of (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is QWDBFKZEQNVIAK-WCMCAJIFSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(23)17-19(16(24)12-22)21(20(17)25)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-19,22-24H,12H2,1H3/t13-,16+,17-,19-/m1/s1.
What are the key properties of (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 134835196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).