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1-N-Cbz-4-hydroxy-beta-proline

CAT: 0024-sc-264911Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-264911Size:100 mg
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CAS Number
886362-64-7

Chemical Information

1-N-Cbz-4-hydroxy-beta-proline
CAS Number886362-64-7
PubChem CID44890918
IUPAC Name4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Molecular FormulaC13H15NO5
Molecular Weight265.26
XLogP0.9
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity340
SMILES
C1C(C(CN1C(=O)OCC2=CC=CC=C2)O)C(=O)O
InChI
InChI=1S/C13H15NO5/c15-11-7-14(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)
InChIKey
IIRYNZYKXMSCSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-N-Cbz-4-hydroxy-beta-proline
CAS: 886362-64-7
CID: 44890918
Formula: C13H15NO5
MW: 265.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.26
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass265.09502258
Monoisotopic Mass265.09502258
Topological Polar Surface Area87.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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