Home > Compound List > Compound details
761460-03-1 molecular structure
click picture or here to close

2-[(3R)-4-[(tert-butoxy)carbonyl]morpholin-3-yl]acetic acid

ChemBase ID: 141203
Molecular Formular: C11H19NO5
Molecular Mass: 245.27226
Monoisotopic Mass: 245.12632271
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)O
Canonical SMILES:
OC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKey:
QVOPNRRQHPWQMF-MRVPVSSYSA-N

Cite this record

CBID:141203 http://www.chembase.cn/molecule-141203.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3R)-4-[(tert-butoxy)carbonyl]morpholin-3-yl]acetic acid
IUPAC Traditional name
[(3R)-4-(tert-butoxycarbonyl)morpholin-3-yl]acetic acid
Synonyms
(R)-N-Boc-3-Morpholineacetic acid
(R)-N-Boc-3-carboxymethyl-morpholine
(R)-1-Boc-morpholin-3-ylacetic acid
(R)-4-Boc-3-morpholineacetic acid
(R)-1-Boc-吗啉-3-基乙酸
(R)-N-Boc-3-羧甲基-吗啉
(R)-4-Boc-3-吗啉乙酸
CAS Number
761460-03-1
MDL Number
MFCD09264262
PubChem SID
162235438
PubChem CID
11459223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11459223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.354683  H Acceptors
H Donor LogD (pH = 5.5) -0.52696764 
LogD (pH = 7.4) -2.2759387  Log P 0.64657724 
Molar Refractivity 59.2172 cm3 Polarizability 23.503712 Å3
Polar Surface Area 76.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.5% (HPLC) expand Show data source
95+% expand Show data source
Optical Purity
ee: 97% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C11H19NO5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 669830 external link
Packaging
1 g in poly bottle
250 mg in poly bottle

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