butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate

C12H20N2O3 — CID 175978634

IUPACbutyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCCCCOC(=O)N1CC2(CN(C(C)=O)C2)C1
InChIInChI=1S/C12H20N2O3/c1-3-4-5-17-11(16)14-8-12(9-14)6-13(7-12)10(2)15/h3-9H2,1-2H3
InChIKeyRNVYCANPSZSTLJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.09
Rot. Bonds3

About butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate

butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 175978634) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Namebutyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID175978634
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namebutyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCCCCOC(=O)N1CC2(CN(C(C)=O)C2)C1
InChIInChI=1S/C12H20N2O3/c1-3-4-5-17-11(16)14-8-12(9-14)6-13(7-12)10(2)15/h3-9H2,1-2H3
InChIKeyRNVYCANPSZSTLJ-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl aziridine-1-carboxylate
CID 12641
butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 175818671
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl 6-phenyl-2-azaspiro[3.4]octane-2-carboxylate
CID 175842476
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
butyl 4-acetyl-2-ethylpiperazine-1-carboxylate
CID 134363066
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
butyl 3-propanoylazetidine-1-carboxylate
CID 150696398
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 6-(3-cyclopropylphenyl)-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 175842462
butyl 3-ethynylazetidine-1-carboxylate
CID 155738095

Frequently Asked Questions

What is the IUPAC name of butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 175978634) is butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate is CCCCOC(=O)N1CC2(CN(C(C)=O)C2)C1.
What is the InChIKey of butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is RNVYCANPSZSTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-4-5-17-11(16)14-8-12(9-14)6-13(7-12)10(2)15/h3-9H2,1-2H3.
What are the key properties of butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 175978634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).