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86118-11-8 molecular structure
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(2R)-2-amino-3-methoxypropanoic acid

ChemBase ID: 292048
Molecular Formular: C4H9NO3
Molecular Mass: 119.11916
Monoisotopic Mass: 119.05824315
SMILES and InChIs

SMILES:
O=C(O)[C@H](N)COC
Canonical SMILES:
COC[C@H](C(=O)O)N
InChI:
InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey:
KNTFCRCCPLEUQZ-GSVOUGTGSA-N

Cite this record

CBID:292048 http://www.chembase.cn/molecule-292048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-methoxypropanoic acid
IUPAC Traditional name
(2R)-2-amino-3-methoxypropanoic acid
Synonyms
(R)-2-Amino-3-methoxypropanoic acid
CAS Number
86118-11-8
PubChem SID
180677579
PubChem CID
88251

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD2392 Please log in.
Data Source Data ID
PubChem 88251 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2052925  H Acceptors
H Donor LogD (pH = 5.5) -3.2437303 
LogD (pH = 7.4) -3.258556  Log P -3.244027 
Molar Refractivity 26.7922 cm3 Polarizability 10.934595 Å3
Polar Surface Area 72.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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