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915924-95-7 molecular structure
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1-(2-methylpropyl)-6-oxopiperidine-3-carboxylic acid

ChemBase ID: 307451
Molecular Formular: C10H17NO3
Molecular Mass: 199.24688
Monoisotopic Mass: 199.12084341
SMILES and InChIs

SMILES:
N1(C(=O)CCC(C1)C(=O)O)CC(C)C
Canonical SMILES:
CC(CN1CC(CCC1=O)C(=O)O)C
InChI:
InChI=1S/C10H17NO3/c1-7(2)5-11-6-8(10(13)14)3-4-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKey:
PWVSYCMYQAMHKP-UHFFFAOYSA-N

Cite this record

CBID:307451 http://www.chembase.cn/molecule-307451.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylpropyl)-6-oxopiperidine-3-carboxylic acid
IUPAC Traditional name
1-(2-methylpropyl)-6-oxopiperidine-3-carboxylic acid
Synonyms
1-isobutyl-6-oxopiperidine-3-carboxylic acid
CAS Number
915924-95-7
MDL Number
MFCD08691594

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.26418233  LogD (pH = 7.4) -2.0386658 
Log P 0.7115906  Molar Refractivity 51.5857 cm3
Polarizability 20.189966 Å3 Polar Surface Area 57.61 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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