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Compound FL0012

CAT: 0013-GTR19269678-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269678-01Size:1 mg
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Description
Compound FL0012, with CAS No. 1384745-48-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0012 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.
CAS Number
1384745-48-5
Smiles
COC (=O) [C@]1 (C) CCN1Cc1ccccc1
Molecular Formula
C13H17NO2
Molecular Weight
219.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl (2S)-1-benzyl-2-methylazetidine-2-carboxylate
CAS Number1384745-48-5
PubChem CID102450516
IUPAC Namemethyl (2S)-1-benzyl-2-methylazetidine-2-carboxylate
Molecular FormulaC13H17NO2
Molecular Weight219.28
XLogP2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity261
SMILES
C[C@]1(CCN1CC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C13H17NO2/c1-13(12(15)16-2)8-9-14(13)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3/t13-/m0/s1
InChIKey
QGWMCHHETIEPNT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of methyl (2S)-1-benzyl-2-methylazetidine-2-carboxylate
CAS: 1384745-48-5
CID: 102450516
Formula: C13H17NO2
MW: 219.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.28
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass219.125928785
Monoisotopic Mass219.125928785
Topological Polar Surface Area29.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity261
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

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