2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate

C20H28N2O4 — CID 135028728

IUPAC2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2)CC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-13-20(14-22)12-21(11-16(20)17(23)25-4)10-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChIKeyGBGWSGANSBPAAK-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.53
Rot. Bonds3

About 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate

2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate (PubChem CID 135028728) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
PubChem CID135028728
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2)CC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-13-20(14-22)12-21(11-16(20)17(23)25-4)10-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChIKeyGBGWSGANSBPAAK-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate with MolForge

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Related Compounds

Methyl 1-benzylpyrrolidine-3-carboxylate
CID 4610751
1-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl ester
CID 6558973
Ethyl 6-benzyl-2-oxa-6-azaspiro(3.4)octane-8-carboxylate
CID 119030500
Methyl 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-4-oxobutanoate
CID 97392751
Methyl 4-[2-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-4-oxobutanoate
CID 97392755
Methyl 4-[2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-4-oxobutanoate
CID 97472455
Methyl 4-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxobutanoate
CID 172438163
rac-(3R,4S)-1-benzyl-4-({[(tert-butoxy)carbonyl]amino}methyl)pyrrolidine-3-carboxylic acid
CID 130624108
2-Oxa-6-azaspiro[3.4]octane-8-carboxylic acid, 8-fluoro-6-(phenylmethyl)-, ethyl ester
CID 134962539
rel-5-(tert-Butyl) 7a-methyl (3aR,7aS)-2-benzyl-3a-fluorohexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate
CID 162412395
methyl (3S,4S)-1-benzyl-4-ethenyl-2-oxopyrrolidine-3-carboxylate
CID 10682701
2,6-Diazaspiro(3.4)octane-2-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester
CID 70700744

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate (CID 135028728) is 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate is COC(=O)C1CN(Cc2ccccc2)CC12CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The InChIKey is GBGWSGANSBPAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-13-20(14-22)12-21(11-16(20)17(23)25-4)10-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3.
What are the key properties of 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate has a molecular weight of 360.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 5-O-methyl 7-benzyl-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate is sourced from PubChem (CID 135028728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).