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869681-70-9 molecular structure
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(3R)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid

ChemBase ID: 293893
Molecular Formular: C10H17NO5
Molecular Mass: 231.24568
Monoisotopic Mass: 231.11067265
SMILES and InChIs

SMILES:
O=C([C@@H]1N(C(=O)OC(C)(C)C)CCOC1)O
Canonical SMILES:
OC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKey:
KVXXEKIGMOEPSA-SSDOTTSWSA-N

Cite this record

CBID:293893 http://www.chembase.cn/molecule-293893.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid
IUPAC Traditional name
(3R)-4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid
Synonyms
(R)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CAS Number
869681-70-9
PubChem SID
180679424
PubChem CID
1512538

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD47832 Please log in.
Data Source Data ID
PubChem 1512538 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7903385  H Acceptors
H Donor LogD (pH = 5.5) -1.1497738 
LogD (pH = 7.4) -2.705039  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
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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