Home > Compound List > Compound details
700815-60-7 molecular structure
click picture or here to close

1-cyclobutanecarbonylpiperidine-4-carboxylic acid

ChemBase ID: 33162
Molecular Formular: C11H17NO3
Molecular Mass: 211.25758
Monoisotopic Mass: 211.12084341
SMILES and InChIs

SMILES:
N1(C(=O)C2CCC2)CCC(C(=O)O)CC1
Canonical SMILES:
OC(=O)C1CCN(CC1)C(=O)C1CCC1
InChI:
InChI=1S/C11H17NO3/c13-10(8-2-1-3-8)12-6-4-9(5-7-12)11(14)15/h8-9H,1-7H2,(H,14,15)
InChIKey:
AAZDBTUTEIYUAL-UHFFFAOYSA-N

Cite this record

CBID:33162 http://www.chembase.cn/molecule-33162.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclobutanecarbonylpiperidine-4-carboxylic acid
IUPAC Traditional name
1-cyclobutanecarbonylpiperidine-4-carboxylic acid
Synonyms
1-(cyclobutylcarbonyl)-4-piperidinecarboxylic acid
1-(Cyclobutylcarbonyl)piperidine-4-carboxylic acid
CAS Number
700815-60-7
MDL Number
MFCD02679040
PubChem SID
160996469
PubChem CID
2813194

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2813194 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.4943194  H Acceptors
H Donor LogD (pH = 5.5) -0.33073932 
LogD (pH = 7.4) -2.0990446  Log P 0.71453935 
Molar Refractivity 54.6414 cm3 Polarizability 21.306252 Å3
Polar Surface Area 57.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle