Z-DL-proline

CAT: 0024-sc-286891ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-286891ASize:5 g

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CAS Number

5618-96-2

Chemical Information

N-(Carbobenzyloxy)-DL-proline

CAS Number	5618-96-2
PubChem CID	232388
IUPAC Name	1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Molecular Formula	C13H15NO4
Molecular Weight	249.26
XLogP	1.7
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	312

SMILES

C1CC(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)

InChIKey

JXGVXCZADZNAMJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5618-96-2

CID: 232388

Formula: C13H15NO4

MW: 249.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.26
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	249.10010796
Monoisotopic Mass	249.10010796
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes