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LY 221501

CAT: 0804-HY-116081Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116081Size:1 Each
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Description
LY 221501 is an active compound.
CAS Number
145512-35-2
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ly-221501.html
Smiles
O=C(O)CCC[C@@H]1C[C@H](C(O)=O)NCC1
Molecular Formula
C10H17NO4
Molecular Weight
215.25
References & Citations
[1]Structure‐activity analysis of binding kinetics for NMDA receptor competitive antagonists: the influence of conformational restriction
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

LY 221501

structure given in first source

CAS Number145512-35-2
PubChem CID132726
IUPAC Name(2R,4S)-4-(3-carboxypropyl)piperidine-2-carboxylic acid
Molecular FormulaC10H17NO4
Molecular Weight215.25
XLogP-1.7
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity242
SMILES
C1CN[C@H](C[C@H]1CCCC(=O)O)C(=O)O
InChI
InChI=1S/C10H17NO4/c12-9(13)3-1-2-7-4-5-11-8(6-7)10(14)15/h7-8,11H,1-6H2,(H,12,13)(H,14,15)/t7-,8+/m0/s1
InChIKey
UDPZLTQBSHPQHX-JGVFFNPUSA-N
Chemical Structure
2D Structure
2D structure of LY 221501
CAS: 145512-35-2
CID: 132726
Formula: C10H17NO4
MW: 215.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.25
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass215.11575802
Monoisotopic Mass215.11575802
Topological Polar Surface Area86.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5777604LY 221501

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