tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

C19H32N2O5 — CID 154944987

IUPACtert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)OC(=O)C(C(C)C)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C19H32N2O5/c1-12(2)14(15(22)25-13(3)4)21-9-8-19(16(21)23)10-20(11-19)17(24)26-18(5,6)7/h12-14H,8-11H2,1-7H3
InChIKeyDMQHUKMNWNJQNR-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.43
Rot. Bonds4

About tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 154944987) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
PubChem CID154944987
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)OC(=O)C(C(C)C)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C19H32N2O5/c1-12(2)14(15(22)25-13(3)4)21-9-8-19(16(21)23)10-20(11-19)17(24)26-18(5,6)7/h12-14H,8-11H2,1-7H3
InChIKeyDMQHUKMNWNJQNR-UHFFFAOYSA-N
XLogP2.43
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid
CID 154942805
tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
CID 176544846
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
CID 170352267
tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
CID 102205627
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CID 139533484
4-O-tert-butyl 1-O-propan-2-yl piperazine-1,4-dicarboxylate;formic acid
CID 142002254
tert-butyl 4-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 163385674
tert-butyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371816
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (CID 154944987) is tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is CC(C)OC(=O)C(C(C)C)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is DMQHUKMNWNJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-12(2)14(15(22)25-13(3)4)21-9-8-19(16(21)23)10-20(11-19)17(24)26-18(5,6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 154944987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).