Home > Compound List > Compound details
3304-59-4 molecular structure
click picture or here to close

1-benzyl 2-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate

ChemBase ID: 102887
Molecular Formular: C19H18N2O6
Molecular Mass: 370.35602
Monoisotopic Mass: 370.11648631
SMILES and InChIs

SMILES:
[O-][N+](=O)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1
Canonical SMILES:
O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
InChI:
InChI=1S/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1
InChIKey:
GXUFIJVKXYWCAO-KRWDZBQOSA-N

Cite this record

CBID:102887 http://www.chembase.cn/molecule-102887.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl 2-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate
IUPAC Traditional name
1-benzyl 2-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate
Synonyms
Z-Pro-ONp
N-CBZ-L-PROLINE-p-NITROPHENYL ESTER
Z-Pro-ONp
Z-Pro-ONp
CAS Number
3304-59-4
EC Number
221-981-3
MDL Number
MFCD00020828
PubChem SID
162090306
24892733
PubChem CID
10133728

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10133728 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6004019  LogD (pH = 7.4) 3.6004019 
Log P 3.6004019  Molar Refractivity 94.7336 cm3
Polarizability 36.655125 Å3 Polar Surface Area 98.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
UY0750000 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals

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