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1256636-22-2 molecular structure
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methyl (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylate

ChemBase ID: 309086
Molecular Formular: C7H14N2O2
Molecular Mass: 158.19826
Monoisotopic Mass: 158.1055277
SMILES and InChIs

SMILES:
N1([C@H](C(=O)OC)C[C@H](C1)N)C
Canonical SMILES:
CN1C[C@@H](C[C@H]1C(=O)OC)N
InChI:
InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6+/m1/s1
InChIKey:
WWDRZXVUQYMTLY-RITPCOANSA-N

Cite this record

CBID:309086 http://www.chembase.cn/molecule-309086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylate
IUPAC Traditional name
methyl (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylate
Synonyms
methyl (4R)-4-amino-1-methyl-L-prolinate
CAS Number
1256636-22-2
MDL Number
MFCD18381893

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) -3.8845086  LogD (pH = 7.4) -2.9392557 
Log P -0.8227788  Molar Refractivity 41.1035 cm3
Polarizability 16.72713 Å3 Polar Surface Area 55.56 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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