[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate

C18H17NO4 — CID 10662813

IUPAC[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate
SMILESO=CO[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO4/c20-13-23-18-16(22-12-15-9-5-2-6-10-15)17(21)19(18)11-14-7-3-1-4-8-14/h1-10,13,16,18H,11-12H2/t16-,18-/m1/s1
InChIKeyBQUJBWNLPBRKEU-SJLPKXTDSA-N
MW311.34 g/mol
LogP2.11
Rot. Bonds7

About [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate

[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate (PubChem CID 10662813) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate.

Molecular Properties

Compound Name[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate
PubChem CID10662813
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate
SMILESO=CO[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO4/c20-13-23-18-16(22-12-15-9-5-2-6-10-15)17(21)19(18)11-14-7-3-1-4-8-14/h1-10,13,16,18H,11-12H2/t16-,18-/m1/s1
InChIKeyBQUJBWNLPBRKEU-SJLPKXTDSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-phenylmethoxyacetate
CID 71575479
COX inhibitor, 8
CID 11021865
(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
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761
[(2R)-2-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
CID 390824
(2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
CID 146316808
(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
CID 146316813
4-Benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
CID 146316817
2-(3-(Acetyloxy)-1-benzyl-4-oxo-2-azetidinyl)-2-(benzyloxy)ethyl (acetyloxy)acetate
CID 496414

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate?
The IUPAC name of [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate (CID 10662813) is [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate.
What is the SMILES notation for [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate?
The canonical SMILES for [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate is O=CO[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate?
The InChIKey is BQUJBWNLPBRKEU-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H17NO4/c20-13-23-18-16(22-12-15-9-5-2-6-10-15)17(21)19(18)11-14-7-3-1-4-8-14/h1-10,13,16,18H,11-12H2/t16-,18-/m1/s1.
What are the key properties of [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate?
[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate has a molecular weight of 311.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate is sourced from PubChem (CID 10662813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).