3-Methylpyrrole-2,4-dicarboxylic Acid - CAS 3780-41-4
Catalog: |
BB023429 |
Product Name: |
3-Methylpyrrole-2,4-dicarboxylic Acid |
CAS: |
3780-41-4 |
Synonyms: |
3-methyl-1H-pyrrole-2,4-dicarboxylic acid; 3-methyl-1H-pyrrole-2,4-dicarboxylic acid |
IUPAC Name: | 3-methyl-1H-pyrrole-2,4-dicarboxylic acid |
Description: | 3-Methylpyrrole-2,4-dicarboxylic Acid (CAS# 3780-41-4 ) is a useful research chemical. |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | CC1=C(NC=C1C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2,8H,1H3,(H,9,10)(H,11,12) |
InChI Key: | DVIKMLHVAWYDMS-UHFFFAOYSA-N |
Boiling Point: | 482.1 ℃ at 760 mmHg |
Density: | 1.55 g/cm3 |
LogP: | 0.71950 |
Publication Number | Title | Priority Date |
EP-2627661-A1 | Glycosylated aminocoumarins and methods of preparing and uses of same | 20101015 |
EP-2627661-B1 | Glycosylated aminocoumarins and methods of preparing and uses of same | 20101015 |
US-2013274213-A1 | Glycosylated aminocoumarins and methods of preparing and uses of same | 20101015 |
US-9045517-B2 | Glycosylated aminocoumarins and methods of preparing and uses of same | 20101015 |
WO-2012049521-A1 | Glycosylated aminocoumarins and methods of preparing and uses of same | 20101015 |
PMID | Publication Date | Title | Journal |
21953874 | 20111125 | Two pathways for pyrrole formation in coumermycin A(1) biosynthesis: the central pyrrole moiety is formed from L-threonine | Chembiochem : a European journal of chemical biology |
17157010 | 20070215 | 13C bis-labeled pyrroles: a tool for the identification of the rat metabolism of 3-methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester | Bioorganic & medicinal chemistry letters |
15554710 | 20041130 | Assembly of dimeric variants of coumermycins by tandem action of the four biosynthetic enzymes CouL, CouM, CouP, and NovN | Biochemistry |
14987980 | 20040301 | 3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part I | Farmaco (Societa chimica italiana : 1989) |
14871503 | 20040201 | 3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part II, A solid-phase approach | Farmaco (Societa chimica italiana : 1989) |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0375077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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