tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

C22H38N2O6 — CID 121308582

IUPACtert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCCCCOC[C@@H](C(=O)OCCCC)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C22H38N2O6/c1-6-8-13-28-15-17(18(25)29-14-9-7-2)23-16-22(19(23)26)11-10-12-24(22)20(27)30-21(3,4)5/h17H,6-16H2,1-5H3/t17-,22?/m0/s1
InChIKeyOLMDFOIEFDFSAX-LBOXEOMUSA-N
MW426.55 g/mol
LogP3.13
Rot. Bonds10

About tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 121308582) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID121308582
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Nametert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCCCCOC[C@@H](C(=O)OCCCC)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C22H38N2O6/c1-6-8-13-28-15-17(18(25)29-14-9-7-2)23-16-22(19(23)26)11-10-12-24(22)20(27)30-21(3,4)5/h17H,6-16H2,1-5H3/t17-,22?/m0/s1
InChIKeyOLMDFOIEFDFSAX-LBOXEOMUSA-N
XLogP3.13
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
1-O-tert-butyl 2-O-methyl 2-(2-butoxyethyl)pyrrolidine-1,2-dicarboxylate
CID 103886310
tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 78318153
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 167163701
tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 24805627
tert-butyl (4R)-2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 97305379

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 121308582) is tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is CCCCOC[C@@H](C(=O)OCCCC)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is OLMDFOIEFDFSAX-LBOXEOMUSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-6-8-13-28-15-17(18(25)29-14-9-7-2)23-16-22(19(23)26)11-10-12-24(22)20(27)30-21(3,4)5/h17H,6-16H2,1-5H3/t17-,22?/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 426.55 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 121308582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).