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Porphobilinogen

CAT: 0572-TRC-P689500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P689500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
487-90-1
Synonyms
5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic Acid; PBG;3-[5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic Acid hydrate
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
NCc1[nH]cc(CCC(=O)O)c1CC(=O)O
Molecular Formula
C10H14N2O4
Molecular Weight
226.23
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Porphobilinogen

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 Number487-90-1
PubChem CID1021
IUPAC Name3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
Molecular FormulaC10H14N2O4
Molecular Weight226.23
XLogP-3.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity270
SMILES
C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
InChI
InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
InChIKey
QSHWIQZFGQKFMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Porphobilinogen
CAS: 487-90-1
CID: 1021
Formula: C10H14N2O4
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP3-3.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass226.09535693
Monoisotopic Mass226.09535693
Topological Polar Surface Area116 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-P32177-01Porphobilinogen-13C2-15N
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