(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde

C18H17NO3 — CID 14971383

IUPAC(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
SMILESO=C[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-12-16-17(22-13-15-9-5-2-6-10-15)18(21)19(16)11-14-7-3-1-4-8-14/h1-10,12,16-17H,11,13H2/t16-,17+/m1/s1
InChIKeyPZXFVZUHQNSOLK-SJORKVTESA-N
MW295.34 g/mol
LogP2.18
Rot. Bonds6

About (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde

(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde (PubChem CID 14971383) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
PubChem CID14971383
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
SMILESO=C[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-12-16-17(22-13-15-9-5-2-6-10-15)18(21)19(16)11-14-7-3-1-4-8-14/h1-10,12,16-17H,11,13H2/t16-,17+/m1/s1
InChIKeyPZXFVZUHQNSOLK-SJORKVTESA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
N-[(1R)-1-phenylethyl]-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
CID 15349921
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761
benzyl N-benzyl-N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 13817626
(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 102376897
1-Benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 23080045
1-Benzyl-3-methyl-3-phenylmethoxyazetidin-2-one
CID 10446461
[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate
CID 10662813

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde?
The IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde (CID 14971383) is (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde.
What is the SMILES notation for (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde?
The canonical SMILES for (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde is O=C[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde?
The InChIKey is PZXFVZUHQNSOLK-SJORKVTESA-N. The full InChI is InChI=1S/C18H17NO3/c20-12-16-17(22-13-15-9-5-2-6-10-15)18(21)19(16)11-14-7-3-1-4-8-14/h1-10,12,16-17H,11,13H2/t16-,17+/m1/s1.
What are the key properties of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde?
(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde is sourced from PubChem (CID 14971383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).