CAS 40216-83-9 | H-Hyp-OMe.HCl | CAS Number 40216-83-9

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40216-83-9 | H-Hyp-OMe.HCl

CAS No: 40216-83-9 Catalog No: AG003UY3 MDL No:MFCD00080855

Product Description

Catalog Number:

AG003UY3

Chemical Name:

H-Hyp-OMe.HCl

CAS Number:

40216-83-9

Molecular Formula:

C6H12ClNO3

Molecular Weight:

181.6174

MDL Number:

MFCD00080855

IUPAC Name:

methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

InChI:

InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1

InChI Key:

KLGSHNXEUZOKHH-JBUOLDKXSA-N

SMILES:

COC(=O)[C@@H]1C[C@H](CN1)O.Cl

EC Number:

609-795-4

Properties

Complexity:

137

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.616g/mol

Monoisotopic Mass:

181.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor.	Nature chemical biology 20090101
Discovering selective agonists of endothelial target for acetylcholine (ETA) via diversity-guided pharmacophore simplification and simulation.	Bioorganic & medicinal chemistry letters 20040621