Tosyl-L-proline

CAT: 0024-sc-296553BSize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-296553BSize:25 g

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CAS Number

51077-01-1

Chemical Information

(2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid

CAS Number	51077-01-1
PubChem CID	691957
IUPAC Name	(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Molecular Formula	C12H15NO4S
Molecular Weight	269.32
XLogP	1.6
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	406

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m0/s1

InChIKey

CGPHGPCHVUSFFA-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 51077-01-1

CID: 691957

Formula: C12H15NO4S

MW: 269.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.32
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	269.07217913
Monoisotopic Mass	269.07217913
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes