| CAS Number | 1909337-20-7 |
| Catalog Number | AG01C21V |
| Chemical Name | 2-(carbamoylmethyl)-4-methyl-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 2-(2-amino-2-oxoethyl)-4-methyl-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3/c1-4-3-10-5(2-6(9)11)7(4)8(12)13/h3,10H,2H2,1H3,(H2,9,11)(H,12,13) |
| InChI Key | BSMKQANUPBCSAH-UHFFFAOYSA-N |
| MDL Number | MFCD29047539 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC1C(C(O)=O)=C(CC(N)=O)NC=1 |
| Synonyms | 1909337-20-7,
2-(carbamoylmethyl)-4-methyl-1H-pyrrole-3-carboxylic acid,
AKOS033821577,
ZINC299805183,
Z2240999318,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number