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848488-76-6 molecular structure
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(3R)-pyrrolidine-3-carboxamide

ChemBase ID: 63315
Molecular Formular: C5H10N2O
Molecular Mass: 114.1457
Monoisotopic Mass: 114.07931295
SMILES and InChIs

SMILES:
C1[C@H](CNC1)C(=O)N
Canonical SMILES:
NC(=O)[C@H]1CNCC1
InChI:
InChI=1S/C5H10N2O/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
InChIKey:
IQHXABCGSFAKPN-SCSAIBSYSA-N

Cite this record

CBID:63315 http://www.chembase.cn/molecule-63315.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-pyrrolidine-3-carboxamide
IUPAC Traditional name
(3R)-pyrrolidine-3-carboxamide
Synonyms
(R)-Pyrrolidine-3-carboxamide
CAS Number
848488-76-6
MDL Number
MFCD11849578
PubChem SID
162029054
PubChem CID
28213639

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 28213639 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.546265  H Acceptors
H Donor LogD (pH = 5.5) -4.4499083 
LogD (pH = 7.4) -4.080855  Log P -1.2153716 
Molar Refractivity 30.1425 cm3 Polarizability 11.95924 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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