Home > Compound List > Compound details
162104830 molecular structure
click picture or here to close

1-[(3R)-3-aminopyrrolidin-1-yl]-2,2-dimethylpropan-1-one hydrochloride

ChemBase ID: 90916
Molecular Formular: C9H19ClN2O
Molecular Mass: 206.71296
Monoisotopic Mass: 206.11859092
SMILES and InChIs

SMILES:
N1(C(=O)C(C)(C)C)CC[C@H](C1)N.Cl
Canonical SMILES:
N[C@@H]1CCN(C1)C(=O)C(C)(C)C.Cl
InChI:
InChI=1S/C9H18N2O.ClH/c1-9(2,3)8(12)11-5-4-7(10)6-11;/h7H,4-6,10H2,1-3H3;1H/t7-;/m1./s1
InChIKey:
VWIYDFCZYTWBDH-OGFXRTJISA-N

Cite this record

CBID:90916 http://www.chembase.cn/molecule-90916.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(3R)-3-aminopyrrolidin-1-yl]-2,2-dimethylpropan-1-one hydrochloride
IUPAC Traditional name
1-[(3R)-3-aminopyrrolidin-1-yl]-2,2-dimethylpropan-1-one hydrochloride
Synonyms
1-[(3S)-3-Aminopyrrolidin-1-yl]-2,2-dimethylpropan-1-one hydrochloride
(3S)-3-Amino-1-[(tert-butyl)carbonyl]pyrrolidine hydrochloride
PubChem SID
162104830
PubChem CID
71300078

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR63018 external link Add to cart Please log in.
Data Source Data ID
PubChem 71300078 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6071892  LogD (pH = 7.4) -1.576983 
Log P 0.3678183  Molar Refractivity 48.4781 cm3
Polarizability 19.311396 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful 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