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757127-21-2 molecular structure
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4-hydroxy-1-methylpiperidine-4-carboxylic acid

ChemBase ID: 310535
Molecular Formular: C7H13NO3
Molecular Mass: 159.18302
Monoisotopic Mass: 159.08954328
SMILES and InChIs

SMILES:
C1(C(=O)O)(CCN(CC1)C)O
Canonical SMILES:
CN1CCC(CC1)(O)C(=O)O
InChI:
InChI=1S/C7H13NO3/c1-8-4-2-7(11,3-5-8)6(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKey:
NNNBLIQDYVJBFR-UHFFFAOYSA-N

Cite this record

CBID:310535 http://www.chembase.cn/molecule-310535.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-1-methylpiperidine-4-carboxylic acid
IUPAC Traditional name
4-hydroxy-1-methylpiperidine-4-carboxylic acid
Synonyms
4-hydroxy-1-methyl-4-piperidinecarboxylic acid
CAS Number
757127-21-2
MDL Number
MFCD08690201

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) -3.5182111  LogD (pH = 7.4) -3.5290096 
Log P -3.5161018  Molar Refractivity 39.8368 cm3
Polarizability 15.618866 Å3 Polar Surface Area 60.77 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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