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Compound Fr14064

CAT: 0931-Fr14064-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14064-02Size:10 mg
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CAS Number
22041-19-6
Bioactivity
Compound Fr14064, with CAS No. 22041-19-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14064 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CCOC(=O)CN1CCCC1
Molecular Formula
C8H15NO2
Molecular Weight
157.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Pyrrolidineacetic acid, ethyl ester
CAS Number22041-19-6
PubChem CID210996
IUPAC Nameethyl 2-pyrrolidin-1-ylacetate
Molecular FormulaC8H15NO2
Molecular Weight157.21
XLogP1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
CCOC(=O)CN1CCCC1
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-9-5-3-4-6-9/h2-7H2,1H3
InChIKey
IIIBKVMTKMLDFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Pyrrolidineacetic acid, ethyl ester
CAS: 22041-19-6
CID: 210996
Formula: C8H15NO2
MW: 157.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.21
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass157.110278721
Monoisotopic Mass157.110278721
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr14164-01Compound Fr14164
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Fr14054-01Compound Fr14054
Fr13064-01Compound Fr13064
Fr14264-01Compound Fr14264
Fr14067-01Compound Fr14067
Fr14074-01Compound Fr14074

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HY-U00358Compound 2
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HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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