GPI-1046

CAT: 0607-BA1909-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1909-50Size:50 mg

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CAS Number

186452-09-5

Form

A liquid

Molecular Formula

C20H28N2O4

Molecular Weight

360.45

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Gpi-1046

structure given in first source

CAS Number	186452-09-5
PubChem CID	445501
IUPAC Name	3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
Molecular Formula	C20H28N2O4
Molecular Weight	360.4
XLogP	3.1
Topological Polar Surface Area	76.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	518

SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC2=CN=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1

InChIKey

OQAHHWOPVDDWHD-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 186452-09-5

CID: 445501

Formula: C20H28N2O4

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	360.20490738
Monoisotopic Mass	360.20490738
Topological Polar Surface Area	76.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	518
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