Home > Compound List > Compound details
869681-70-9 molecular structure
click picture or here to close

(3R)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid

ChemBase ID: 800273
Molecular Formular: C10H17NO5
Molecular Mass: 231.24568
Monoisotopic Mass: 231.11067265
SMILES and InChIs

SMILES:
[C@@H]1(COCCN1C(=O)OC(C)(C)C)C(=O)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:800273 http://www.chembase.cn/molecule-800273.html

Collapse All Expand All

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)-Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
CAS Number
869681-70-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15684 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15684 external link Add to cart Please log in.
Data Source Data ID

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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle