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N-CBZ-L-Proline-OH

CAT: 0063-10509686-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0063-10509686-01Size:1 g
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CAS Number
1148-11-4

Chemical Information

Benzyloxycarbonyl-L-proline

an inhibitor of prolidase

CAS Number1148-11-4
PubChem CID101987
IUPAC Name(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Molecular FormulaC13H15NO4
Molecular Weight249.26
XLogP1.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity312
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Benzyloxycarbonyl-L-proline
CAS: 1148-11-4
CID: 101987
Formula: C13H15NO4
MW: 249.26
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight249.26
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass249.10010796
Monoisotopic Mass249.10010796
Topological Polar Surface Area66.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes