Boc-Ala-OSu

CAT: 0024-sc-227436Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227436Size:5 g

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CAS Number

3392-05-0

Chemical Information

Succinimido (S)-2-((tert-butoxycarbonyl)amino)propionate

CAS Number	3392-05-0
PubChem CID	100126
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular Formula	C12H18N2O6
Molecular Weight	286.28
XLogP	0.4
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	424

SMILES

CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)

InChIKey

COMUWNFVTWKSDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3392-05-0

CID: 100126

Formula: C12H18N2O6

MW: 286.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.28
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	286.11648630
Monoisotopic Mass	286.11648630
Topological Polar Surface Area	102 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes