Ac-Ala-Ala-OH

CAT: 0024-sc-284873ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-284873ASize:1 g

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CAS Number

19245-87-5

Chemical Information

Acetylalanylalanine

RN given refers to (D)-isomer

CAS Number	19245-87-5
PubChem CID	5488264
IUPAC Name	(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
Molecular Formula	C8H14N2O4
Molecular Weight	202.21
XLogP	-1.3
Topological Polar Surface Area	95.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	252

SMILES

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

InChI

InChI=1S/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1

InChIKey

MJZMSEWWBGCBFM-WHFBIAKZSA-N

Chemical Structure

2D Structure

CAS: 19245-87-5

CID: 5488264

Formula: C8H14N2O4

MW: 202.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.21
XLogP3	-1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	202.09535693
Monoisotopic Mass	202.09535693
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	252
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