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103039-93-6 molecular structure
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3-(1-methylpiperidin-2-yl)propanoic acid

ChemBase ID: 307560
Molecular Formular: C9H17NO2
Molecular Mass: 171.23678
Monoisotopic Mass: 171.12592879
SMILES and InChIs

SMILES:
N1(C(CCC(=O)O)CCCC1)C
Canonical SMILES:
OC(=O)CCC1CCCCN1C
InChI:
InChI=1S/C9H17NO2/c1-10-7-3-2-4-8(10)5-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey:
ZYWHDXBOSGFUFC-UHFFFAOYSA-N

Cite this record

CBID:307560 http://www.chembase.cn/molecule-307560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1-methylpiperidin-2-yl)propanoic acid
IUPAC Traditional name
3-(1-methylpiperidin-2-yl)propanoic acid
Synonyms
3-(1-methylpiperidin-2-yl)propanoic acid
CAS Number
103039-93-6
MDL Number
MFCD09055354

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6561408  LogD (pH = 7.4) -1.627123 
Log P -1.6271099  Molar Refractivity 47.3393 cm3
Polarizability 18.621471 Å3 Polar Surface Area 40.54 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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