CID 34178313
PubChem CID
34178313
Structure
Molecular Formula
Status
Non-live
Molecular Weight
217.29 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(3R)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azanium
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7,11H2,1-3H3/p+1/t10-/m1/s1
BAMSJMDJDXMZDC-SNVBAGLBSA-O
CC(C)(C)OC(=O)N1CC[C@@](C1)(CO)[NH3+]
C10H21N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
217.29 g/mol
Property Name
XLogP3-AA
Property Value
-0.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
217.15521754 g/mol
Property Name
Monoisotopic Mass
Property Value
217.15521754 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.4 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
250
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS