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1214158-74-3 molecular structure
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2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid

ChemBase ID: 307575
Molecular Formular: C9H17NO3
Molecular Mass: 187.23618
Monoisotopic Mass: 187.12084341
SMILES and InChIs

SMILES:
N1(C(C(=O)O)C)C[C@@H](O[C@@H](C1)C)C
Canonical SMILES:
CC(C(=O)O)N1C[C@H](C)O[C@@H](C1)C
InChI:
InChI=1S/C9H17NO3/c1-6-4-10(5-7(2)13-6)8(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7+,8?
InChIKey:
MXAGXWIBRZPNRW-DHBOJHSNSA-N

Cite this record

CBID:307575 http://www.chembase.cn/molecule-307575.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid
IUPAC Traditional name
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid
Synonyms
2-[cis-2,6-dimethyl-4-morpholinyl]propanoic acid
CAS Number
1214158-74-3
MDL Number
MFCD12198425

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) -1.5851996  LogD (pH = 7.4) -1.9484805 
Log P -1.5848998  Molar Refractivity 48.4787 cm3
Polarizability 19.342733 Å3 Polar Surface Area 49.77 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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