5-(Ethoxycarbonyl)pyrrole-2-carboxylic Acid - CAS 952569-58-3
Catalog: |
BB041660 |
Product Name: |
5-(Ethoxycarbonyl)pyrrole-2-carboxylic Acid |
CAS: |
952569-58-3 |
Synonyms: |
5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid; 5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid |
IUPAC Name: | 5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid |
Description: | 5-(Ethoxycarbonyl)pyrrole-2-carboxylic Acid (CAS# 952569-58-3) is a useful research chemical. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | CCOC(=O)C1=CC=C(N1)C(=O)O |
InChI: | InChI=1S/C8H9NO4/c1-2-13-8(12)6-4-3-5(9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11) |
InChI Key: | BMQLZHDFXVPFKX-UHFFFAOYSA-N |
LogP: | 0.88960 |
Publication Number | Title | Priority Date |
AU-2017223416-A1 | Heteroaryl inhibitors of PAD4 | 20160223 |
EP-3419969-A1 | Heteroaryl inhibitors of pad4 | 20160223 |
EP-3419969-B1 | Heteroaryl inhibitors of pad4 | 20160223 |
JP-2019505597-A | Heteroaryl inhibitors of PAD4 | 20160223 |
KR-20180110160-A | Heteroaryl inhibitors of PAD4 | 20160223 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 79.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
-
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
-
[87-88-7]
Chloranilic acid
-
[55441-25-3]
1-(2-Cyanophenyl)urea
-
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS