Porphobilinogen

Chemical Information
Porphobilinogen is a dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. It is a conjugate acid of a porphobilinogen(1-).
| CAS Number | 487-90-1 |
| PubChem CID | 1021 |
| IUPAC Name | 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid |
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.23 |
| XLogP | -3.5 |
| Topological Polar Surface Area | 116 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 270 |
| Property | Value |
|---|---|
| Molecular Weight | 226.23 |
| XLogP3 | -3.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 226.09535693 |
| Monoisotopic Mass | 226.09535693 |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 270 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
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