4-(Boc-amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic Acid - CAS 212184-27-5
Catalog: |
BB016699 |
Product Name: |
4-(Boc-amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic Acid |
CAS: |
212184-27-5 |
Synonyms: |
3-methoxy-1-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyrrolecarboxylic acid; 3-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid |
IUPAC Name: | 3-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid |
Description: | 4-(Boc-amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic Acid (CAS# 212184-27-5 ) is a useful research chemical. |
Molecular Weight: | 270.28 |
Molecular Formula: | C12H18N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CN(C(=C1OC)C(=O)O)C |
InChI: | InChI=1S/C12H18N2O5/c1-12(2,3)19-11(17)13-7-6-14(4)8(10(15)16)9(7)18-5/h6H,1-5H3,(H,13,17)(H,15,16) |
InChI Key: | JPOMZFNBINJENV-UHFFFAOYSA-N |
LogP: | 2.15190 |
Publication Number | Title | Priority Date |
EP-1745032-B1 | CXCR1 and CXCR2 chemokine antagonists | 20040512 |
US-2006014794-A1 | CXCR1 and CXCR2 chemokine antagonists | 20040512 |
US-2007248594-A1 | Cxcr1 and cxcr2 chemokine antagonists | 20040512 |
US-7326729-B2 | CXCR1 and CXCR2 chemokine antagonists | 20040512 |
EP-1599474-B1 | Heterocyclic oligomeric compounds for DNA recognition | 20030304 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.12157168 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.12157168 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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