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Compound FL0016

CAT: 0013-GTR19269679-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269679-01Size:1 mg
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Description
Compound FL0016, with CAS No. 1363382-07-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0016 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
1363382-07-3
Purity
99.23% (May vary between batches)
Smiles
CC (C) (C) OC (=O) NC1 (CN (C1) C (=O) OC (C) (C) C) C (O) =O
Molecular Formula
C14H24N2O6
Molecular Weight
316.3502
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-((Tert-butoxy)carbonyl)-3-(((tert-butoxy)carbonyl)amino)azetidine-3-carboxylic acid
CAS Number1363382-07-3
PubChem CID72208215
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-3-carboxylic acid
Molecular FormulaC14H24N2O6
Molecular Weight316.35
XLogP1
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity469
SMILES
CC(C)(C)OC(=O)NC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H24N2O6/c1-12(2,3)21-10(19)15-14(9(17)18)7-16(8-14)11(20)22-13(4,5)6/h7-8H2,1-6H3,(H,15,19)(H,17,18)
InChIKey
HKALKUARCQYSJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((Tert-butoxy)carbonyl)-3-(((tert-butoxy)carbonyl)amino)azetidine-3-carboxylic acid
CAS: 1363382-07-3
CID: 72208215
Formula: C14H24N2O6
MW: 316.35
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.35
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass316.16343649
Monoisotopic Mass316.16343649
Topological Polar Surface Area105 Ų
Heavy Atom Count22
Formal Charge0
Complexity469
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

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