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(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid

ChemBase ID: 795872
Molecular Formular: C10H17NO5
Molecular Mass: 231.24568
Monoisotopic Mass: 231.11067265
SMILES and InChIs

SMILES:
C1[C@H](OCCN1C(=O)OC(C)(C)C)C(=O)O
Canonical SMILES:
OC(=O)[C@H]1OCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey:
LGWMTRPJZFEWCX-ZETCQYMHSA-N

Cite this record

CBID:795872 http://www.chembase.cn/molecule-795872.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
IUPAC Traditional name
(2S)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid
Synonyms
(S)-4-(tert-butoxycarbonyl)Morpholine-2-carboxylic acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.827664  H Acceptors
H Donor LogD (pH = 5.5) -1.1137277 
LogD (pH = 7.4) -2.6877058  Log P 0.56175375 
Molar Refractivity 54.5929 cm3 Polarizability 21.685844 Å3
Polar Surface Area 76.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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