Boc-β-iodo-Ala-OMe

CAT: 0024-sc-254986ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254986ASize:5 g

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CAS Number

93267-04-0

Chemical Information

methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate

CAS Number	93267-04-0
PubChem CID	10903591
IUPAC Name	methyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular Formula	C9H16INO4
Molecular Weight	329.13
XLogP	1.4
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OC

InChI

InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1

InChIKey

UGZBFCCHLUWCQI-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 93267-04-0

CID: 10903591

Formula: C9H16INO4

MW: 329.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	329.13
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	329.01241
Monoisotopic Mass	329.01241
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes