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Compound FL0205

CAT: 0013-GTR19269748-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269748-02Size:5 mg
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Description
Compound FL0205, with CAS No. 1630815-49-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0205 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
1630815-49-4
Smiles
CC (C) (C) OC (=O) N1CCC[C@]1 (CN) CC1CC1
Molecular Formula
C14H26N2O2
Molecular Weight
254.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-butyl (2R)-2-(aminomethyl)-2-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CAS Number1630815-49-4
PubChem CID91800928
IUPAC Nametert-butyl (2R)-2-(aminomethyl)-2-(cyclopropylmethyl)pyrrolidine-1-carboxylate
Molecular FormulaC14H26N2O2
Molecular Weight254.37
XLogP2
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity320
SMILES
CC(C)(C)OC(=O)N1CCC[C@@]1(CC2CC2)CN
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-8-4-7-14(16,10-15)9-11-5-6-11/h11H,4-10,15H2,1-3H3/t14-/m1/s1
InChIKey
WDVGMVSGYYJQKE-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl (2R)-2-(aminomethyl)-2-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CAS: 1630815-49-4
CID: 91800928
Formula: C14H26N2O2
MW: 254.37
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.37
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass254.199428076
Monoisotopic Mass254.199428076
Topological Polar Surface Area55.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity320
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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