Compound Summary for: CID 62707348

Molecular Formula: C4H11IN2O4   Molecular Weight: 278.04561   InChIKey: VQKNNQCPNAEMNT-UHFFFAOYSA-N
Compound Information
CID 62707348
Create Date: 2012-10-22
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 278.04561 [g/mol]
Molecular FormulaC4H11IN2O4
H-Bond Donor4
H-Bond Acceptor6
Rotatable Bond Count2
Exact Mass277.976355
MonoIsotopic Mass277.976355
Topological Polar Surface Area127
Heavy Atom Count11
Formal Charge0
Complexity42.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Descriptors
IUPAC Name2-aminoacetic acid;hydroiodide
InChIInChI=1S/2C2H5NO2.HI/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);1H
InChIKeyVQKNNQCPNAEMNT-UHFFFAOYSA-N
Canonical SMILESC(C(=O)O)N.C(C(=O)O)N.I
Isomeric SMILESC(C(=O)O)N.C(C(=O)O)N.I
Old Version Substance Information