Boc-Ala-Ala-OH

CAT: 0926-FB48198-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FB48198-01Size:2 g

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CAS Number

27317-69-7

Synonyms

Boc-L-alanyl-L-alanine

MDL Number

MFCD00038564

Smiles

C[C@@H] (C (=O) N[C@@H] (C) C (=O) O) NC (=O) OC (C) (C) C

Molecular Formula

C11H20N2O5

Molecular Weight

260.29 g/mol

Controlled

Chemical Information

N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine

CAS Number	27317-69-7
PubChem CID	6992569
IUPAC Name	(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
Molecular Formula	C11H20N2O5
Molecular Weight	260.29
XLogP	0.7
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	335

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H20N2O5/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7-/m0/s1

InChIKey

BZNDDHWTEVCBAD-BQBZGAKWSA-N

Chemical Structure

2D Structure

CAS: 27317-69-7

CID: 6992569

Formula: C11H20N2O5

MW: 260.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.29
XLogP3	0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	260.13722174
Monoisotopic Mass	260.13722174
Topological Polar Surface Area	105 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	335
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes