1-(3-Methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid - CAS 618070-31-8
Catalog: |
BB031264 |
Product Name: |
1-(3-Methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid |
CAS: |
618070-31-8 |
Synonyms: |
1-(3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-(3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(3-Methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid (CAS# 618070-31-8) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C12H13NO3 |
Canonical SMILES: | CC1=CC(=CC=C1)N2CCC(C2=O)C(=O)O |
InChI: | InChI=1S/C12H13NO3/c1-8-3-2-4-9(7-8)13-6-5-10(11(13)14)12(15)16/h2-4,7,10H,5-6H2,1H3,(H,15,16) |
InChI Key: | CDYNQYZODLGTJT-UHFFFAOYSA-N |
Boiling Point: | 518.8 °C at 760 mmHg |
Purity: | 97+ % (HPLC) |
Density: | 1.297 g/cm3 |
MDL: | MFCD03932874 |
LogP: | 1.49750 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2010258566-A1 | Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases | 20090611 |
AU-2010258566-B2 | Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases | 20090611 |
CA-2765181-A1 | Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases | 20090611 |
CA-2765181-C | Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases | 20090611 |
EP-2440550-A1 | Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases | 20090611 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.08954328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Pyrrolidines
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