butyl 1,7-diazaspiro[3.4]octane-1-carboxylate

C11H20N2O2 — CID 150998309

IUPACbutyl 1,7-diazaspiro[3.4]octane-1-carboxylate
SMILESCCCCOC(=O)N1CCC12CCNC2
InChIInChI=1S/C11H20N2O2/c1-2-3-8-15-10(14)13-7-5-11(13)4-6-12-9-11/h12H,2-9H2,1H3
InChIKeyLTOKIAONWXKFKW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds3

About butyl 1,7-diazaspiro[3.4]octane-1-carboxylate

butyl 1,7-diazaspiro[3.4]octane-1-carboxylate (PubChem CID 150998309) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is butyl 1,7-diazaspiro[3.4]octane-1-carboxylate.

Molecular Properties

Compound Namebutyl 1,7-diazaspiro[3.4]octane-1-carboxylate
PubChem CID150998309
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namebutyl 1,7-diazaspiro[3.4]octane-1-carboxylate
SMILESCCCCOC(=O)N1CCC12CCNC2
InChIInChI=1S/C11H20N2O2/c1-2-3-8-15-10(14)13-7-5-11(13)4-6-12-9-11/h12H,2-9H2,1H3
InChIKeyLTOKIAONWXKFKW-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tributyl pyrrolidine-1,2,2-tricarboxylate
CID 141414902
N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide
CID 141044111
butyl aziridine-1-carboxylate
CID 12641
butyl 3-methylazetidine-3-carboxylate
CID 174909685
methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 169312195
1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 91618521
butyl (2R)-2-methylpiperazine-1-carboxylate
CID 70918230
1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone
CID 125498225
propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220

Frequently Asked Questions

What is the IUPAC name of butyl 1,7-diazaspiro[3.4]octane-1-carboxylate?
The IUPAC name of butyl 1,7-diazaspiro[3.4]octane-1-carboxylate (CID 150998309) is butyl 1,7-diazaspiro[3.4]octane-1-carboxylate.
What is the SMILES notation for butyl 1,7-diazaspiro[3.4]octane-1-carboxylate?
The canonical SMILES for butyl 1,7-diazaspiro[3.4]octane-1-carboxylate is CCCCOC(=O)N1CCC12CCNC2.
What is the InChIKey of butyl 1,7-diazaspiro[3.4]octane-1-carboxylate?
The InChIKey is LTOKIAONWXKFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-8-15-10(14)13-7-5-11(13)4-6-12-9-11/h12H,2-9H2,1H3.
What are the key properties of butyl 1,7-diazaspiro[3.4]octane-1-carboxylate?
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1,7-diazaspiro[3.4]octane-1-carboxylate is sourced from PubChem (CID 150998309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).