5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate

C20H26N2O6 — CID 134230733

IUPAC5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate
SMILESCOC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H26N2O6/c1-19(2,3)28-18(25)22-15(16(23)26-4)10-11-20(22)13-21(17(20)24)27-12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeyMJMMHAXWEQFURF-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.27
Rot. Bonds4

About 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate

5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate (PubChem CID 134230733) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate
PubChem CID134230733
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate
SMILESCOC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H26N2O6/c1-19(2,3)28-18(25)22-15(16(23)26-4)10-11-20(22)13-21(17(20)24)27-12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeyMJMMHAXWEQFURF-UHFFFAOYSA-N
XLogP2.27
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate with MolForge

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Related Compounds

tert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]methyl]-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134230859
1-O-tert-butyl 2-O,5-O-dimethyl (2R,3R,4R,5R)-3,4-bis(phenylmethoxy)pyrrolidine-1,2,5-tricarboxylate
CID 10907216
2-O-benzyl 1-O-tert-butyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11313662
2-O-benzyl 1-O-tert-butyl 5-methoxypyrrolidine-1,2-dicarboxylate
CID 66985482
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
2-O,5-O-dibenzyl 1-O-tert-butyl pyrrolidine-1,2,5-tricarboxylate
CID 134230843
2-O-benzyl 1-O-tert-butyl 3,3-dimethoxyazetidine-1,2-dicarboxylate
CID 146598261
1-O-tert-butyl 2-O-methyl (2R,5S)-5-phenylpyrrolidine-1,2-dicarboxylate
CID 54216413
6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid
CID 159496862
1-O'-tert-butyl 2-O'-methyl (2'S,3R,5'R)-2-oxo-5'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 101403103
3-O-tert-butyl 4-O-methyl (4S)-2-methyl-2-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3,4-dicarboxylate
CID 10905611
2-O-benzyl 1-O-tert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 11759402

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate (CID 134230733) is 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate is COC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate?
The InChIKey is MJMMHAXWEQFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-19(2,3)28-18(25)22-15(16(23)26-4)10-11-20(22)13-21(17(20)24)27-12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3.
What are the key properties of 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate?
5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate has a molecular weight of 390.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate is sourced from PubChem (CID 134230733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).