5-Amino-2-([1,1'-biphenyl]-2-ylcarbonyl)pentanoic acid - CAS 881040-80-8
Catalog: |
BB075108 |
Product Name: |
5-Amino-2-([1,1'-biphenyl]-2-ylcarbonyl)pentanoic acid |
CAS: |
881040-80-8 |
Synonyms: |
5-amino-2-(2-phenylbenzoyl)pentanoic Acid; 5-amino-2-([1,1'-biphenyl]-2-ylcarbonyl)pentanoic acid; 5-amino-2-(biphenyl-2-ylcarbonyl)pentanoic acid; 2-([1,1'-Biphenyl]-2-carbonyl)-5-aminopentanoic acid |
IUPAC Name: | 5-amino-2-(2-phenylbenzoyl)pentanoic acid |
Description: | 5-Amino-2-([1,1'-biphenyl]-2-ylcarbonyl)pentanoic acid |
Molecular Weight: | 297.35 |
Molecular Formula: | C18H19NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(CCCN)C(=O)O |
InChI: | InChI=1S/C18H19NO3/c19-12-6-11-16(18(21)22)17(20)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12,19H2,(H,21,22) |
InChI Key: | PWXAZRIILJDHMT-UHFFFAOYSA-N |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.13649347 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 80.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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