tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate

C18H25NO5 — CID 143371339

IUPACtert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
SMILESCOC(C)(C)OC1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C18H25NO5/c1-17(2,3)24-16(21)19-13(12-10-8-7-9-11-12)14(15(19)20)23-18(4,5)22-6/h7-11,13-14H,1-6H3/t13-,14?/m0/s1
InChIKeyUSZPTXPNTIWHOK-LSLKUGRBSA-N
MW335.40 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate

tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate (PubChem CID 143371339) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
PubChem CID143371339
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nametert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
SMILESCOC(C)(C)OC1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C18H25NO5/c1-17(2,3)24-16(21)19-13(12-10-8-7-9-11-12)14(15(19)20)23-18(4,5)22-6/h7-11,13-14H,1-6H3/t13-,14?/m0/s1
InChIKeyUSZPTXPNTIWHOK-LSLKUGRBSA-N
XLogP3.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
CID 11988555
tert-butyl (3S,4S)-3-benzoyloxy-2-oxo-4-phenylazetidine-1-carboxylate
CID 146032902
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (3S,5R)-4-(cyclopropanecarbonylamino)-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 167017836
tert-butyl (3S,4S)-4-(cyclopropanecarbonylamino)-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 154642067
tert-butyl (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 86596335
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
tert-butyl 3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
CID 23372153
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate (CID 143371339) is tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate is COC(C)(C)OC1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate?
The InChIKey is USZPTXPNTIWHOK-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H25NO5/c1-17(2,3)24-16(21)19-13(12-10-8-7-9-11-12)14(15(19)20)23-18(4,5)22-6/h7-11,13-14H,1-6H3/t13-,14?/m0/s1.
What are the key properties of tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate?
tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate is sourced from PubChem (CID 143371339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).