Ala-pNA

CAT: 0926-SAN-3068-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-SAN-3068-01Size:0.1 g

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CAS Number

1668-13-9

Smiles

CC (C (=O) NC1=CC=C (C=C1) [N+] (=O) [O-]) N

Molecular Formula

C9H11N3O3

Molecular Weight

209.2 g/mol

Controlled

Chemical Information

Alanine p-nitroanilide

substrate for aminopeptidase M

CAS Number	1668-13-9
PubChem CID	150936
IUPAC Name	(2S)-2-amino-N-(4-nitrophenyl)propanamide
Molecular Formula	C9H11N3O3
Molecular Weight	209.20
XLogP	1.2
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	243

SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C9H11N3O3/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15/h2-6H,10H2,1H3,(H,11,13)/t6-/m0/s1

InChIKey

PXFUDSMGEYRNNC-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 1668-13-9

CID: 150936

Formula: C9H11N3O3

MW: 209.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.20
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	209.08004122
Monoisotopic Mass	209.08004122
Topological Polar Surface Area	101 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243
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