1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-[hydroxy(nitroso)amino]propanoic acid

2.1.2 InChI

InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1

2.1.3 InChI Key

MLFKVJCWGUZWNV-REOHCLBHSA-N

2.1.4 Canonical SMILES

C(C(C(=O)O)N)N(N=O)O

2.1.5 Isomeric SMILES

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

2.2 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₃H₇N₃O₄
Molecular Weight	149.11 g/mol
XLogP3	-3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	149.04365571 g/mol
Monoisotopic Mass	149.04365571 g/mol
Topological Polar Surface Area	116 A^2
Heavy Atom Count	10
Formal Charge	0
Complexity	138
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

Alanosine