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915922-35-9 molecular structure
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1-cyclopentyl-6-oxopiperidine-3-carboxylic acid

ChemBase ID: 307452
Molecular Formular: C11H17NO3
Molecular Mass: 211.25758
Monoisotopic Mass: 211.12084341
SMILES and InChIs

SMILES:
N1(CC(C(=O)O)CCC1=O)C1CCCC1
Canonical SMILES:
OC(=O)C1CCC(=O)N(C1)C1CCCC1
InChI:
InChI=1S/C11H17NO3/c13-10-6-5-8(11(14)15)7-12(10)9-3-1-2-4-9/h8-9H,1-7H2,(H,14,15)
InChIKey:
MITBXWOAYZPGJN-UHFFFAOYSA-N

Cite this record

CBID:307452 http://www.chembase.cn/molecule-307452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
IUPAC Traditional name
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
Synonyms
1-cyclopentyl-6-oxo-3-piperidinecarboxylic acid
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CAS Number
915922-35-9
MDL Number
MFCD08691596

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4015799 external link Add to cart 14622339 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 4.4773417  Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -0.23870228 
LogD (pH = 7.4) -2.0052252  Log P 0.8219893 
Molar Refractivity 54.2547 cm3 Polarizability 21.306252 Å3
Polar Surface Area 57.61 Å2
H Acceptors H Donor
Log P 0.82  LOG S -1.44 
Polar Surface Area 57.61 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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