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Compound FL0203

CAT: 0931-FL0203-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0203-01Size:200 mg
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CAS Number
755025-16-2
Bioactivity
Compound FL0203, with CAS No. 755025-16-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0203 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
COc1ccc(CN2C[C@H](CC2=O)C(O)=O)c(OC)c1
Molecular Formula
C14H17NO5
Molecular Weight
279.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CAS Number755025-16-2
PubChem CID40985411
IUPAC Name(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
Molecular FormulaC14H17NO5
Molecular Weight279.29
XLogP0.4
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
COC1=CC(=C(C=C1)CN2C[C@H](CC2=O)C(=O)O)OC
InChI
InChI=1S/C14H17NO5/c1-19-11-4-3-9(12(6-11)20-2)7-15-8-10(14(17)18)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKey
OZFGRQLUQFPWPR-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CAS: 755025-16-2
CID: 40985411
Formula: C14H17NO5
MW: 279.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.29
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass279.11067264
Monoisotopic Mass279.11067264
Topological Polar Surface Area76.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0023-01Compound FL0023
FL0201-01Compound FL0201
FL0202-01Compound FL0202
FL0208-01Compound FL0208
FL0230-01Compound FL0230
FL0223-01Compound FL0223
FL0213-01Compound FL0213
FL0003-01Compound FL0003
FL0200-01Compound FL0200
FL0218-01Compound FL0218

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