Home > Compound List > Compound details
16257-89-9 molecular structure
click picture or here to close

(2S,4R)-4-aminopyrrolidine-2-carboxylic acid dihydrochloride

ChemBase ID: 87315
Molecular Formular: C5H12Cl2N2O2
Molecular Mass: 203.06698
Monoisotopic Mass: 202.02758299
SMILES and InChIs

SMILES:
N1C[C@@H](C[C@H]1C(=O)O)N.Cl.Cl
Canonical SMILES:
N[C@H]1CN[C@@H](C1)C(=O)O.Cl.Cl
InChI:
InChI=1S/C5H10N2O2.2ClH/c6-3-1-4(5(8)9)7-2-3;;/h3-4,7H,1-2,6H2,(H,8,9);2*1H/t3-,4+;;/m1../s1
InChIKey:
YQEVKNLEXCXBHR-KTMCEXHZSA-N

Cite this record

CBID:87315 http://www.chembase.cn/molecule-87315.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,4R)-4-aminopyrrolidine-2-carboxylic acid dihydrochloride
IUPAC Traditional name
(2S,4R)-4-aminopyrrolidine-2-carboxylic acid dihydrochloride
Synonyms
trans-4-Amino-L-proline dihydrochloride
(2S,4R)-4-Aminopyrrolidine-2-carboxylic acid dihydrochloride
CAS Number
16257-89-9
MDL Number
MFCD09954286
PubChem SID
162074423
PubChem CID
44119211

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR30676 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119211 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9139624  H Acceptors
H Donor LogD (pH = 5.5) -5.6608477 
LogD (pH = 7.4) -4.096585  Log P -3.8235297 
Molar Refractivity 31.0397 cm3 Polarizability 12.82288 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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