Boc-isoguvacine

CAT: 0024-sc-326457Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-326457Size:100 mg

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CAS Number

70684-84-3

Chemical Information

1-((Tert-butoxy)carbonyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid

CAS Number	70684-84-3
PubChem CID	17781790
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
Molecular Formula	C11H17NO4
Molecular Weight	227.26
XLogP	1
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	327

SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)O

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h4H,5-7H2,1-3H3,(H,13,14)

InChIKey

XMOGRJIQFWJZDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70684-84-3

CID: 17781790

Formula: C11H17NO4

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	227.11575802
Monoisotopic Mass	227.11575802
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B6230-5.1	Isoguvacine hydrochloride
463976	Isoguvacine HCl
HY-100810-01	Isoguvacine (hydrochloride)
A20563-25	Isoguvacine hydrochloride 25mg
A20563-100	Isoguvacine hydrochloride 100mg
HY-100810R	Isoguvacine (hydrochloride) (Standard)
A20563-500	Isoguvacine hydrochloride 500mg
A20563-50	Isoguvacine hydrochloride 50mg
A20563-10	Isoguvacine hydrochloride 10mg
A20563-10mM-D	Isoguvacine hydrochloride 10mM * 1mL in DMSO