(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one

C18H20N2O3 — CID 131864147

IUPAC(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-22-14-9-8-13(15(10-14)23-2)11-20-17(16(19)18(20)21)12-6-4-3-5-7-12/h3-10,16-17H,11,19H2,1-2H3/t16-,17+/m0/s1
InChIKeyUWBVGJKLBGUYGO-DLBZAZTESA-N
MW312.37 g/mol
LogP2.11
Rot. Bonds5

About (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one

(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one (PubChem CID 131864147) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
PubChem CID131864147
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-22-14-9-8-13(15(10-14)23-2)11-20-17(16(19)18(20)21)12-6-4-3-5-7-12/h3-10,16-17H,11,19H2,1-2H3/t16-,17+/m0/s1
InChIKeyUWBVGJKLBGUYGO-DLBZAZTESA-N
XLogP2.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(2S,5R)-2-benzyl-1-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,5-dihydropyridin-6-one
CID 11602763
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
2-[2-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 14230611
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 94073209
2-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-[(Z)-2-phenylethenyl]azetidin-3-yl]isoindole-1,3-dione
CID 70390446
[(2S,3S)-1-[(2,4-dimethoxyphenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-2-yl] hydrogen carbonate
CID 70448396
(2R,3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidine-2-carbaldehyde
CID 14110350
(3R,4S)-3-(benzenesulfonyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 101255253
[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 170340198
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one (CID 131864147) is (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one is COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccccc2)c(OC)c1.
What is the InChIKey of (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one?
The InChIKey is UWBVGJKLBGUYGO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-14-9-8-13(15(10-14)23-2)11-20-17(16(19)18(20)21)12-6-4-3-5-7-12/h3-10,16-17H,11,19H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one?
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 131864147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).