Delta-Aminolevulinic Acid HCl

Synopsis, Chemistry

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Also known as: 5-ala

Molecular Formula

C₅H₁₀ClNO₃

Molecular Weight

167.59 g/mol

InChI Key

ZLHFONARZHCSET-UHFFFAOYSA-N

1 2D Structure

Delta-Aminolevulinic Acid HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-carboxy-2-oxobutyl)azanium;chloride

2.1.2 InChI

InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H

2.1.3 InChI Key

ZLHFONARZHCSET-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CC(=O)O)C(=O)C[NH3+].[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5-ala

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀ClNO₃
Molecular Weight	167.59 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	167.0349209 g/mol
Monoisotopic Mass	167.0349209 g/mol
Topological Polar Surface Area	82 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2