| CAS Number | 880810-89-9 |
| Catalog Number | AG004ERB(AGN-PC-0WB51W) |
| Chemical Name | (2R)-3-Methyl-2-(4-oxoquinazolin-3(4h)-yl)butanoic acid |
| IUPAC Name | 3-methyl-2-(4-oxoquinazolin-3-yl)butanoic acid |
| InChI | InChI=1S/C13H14N2O3/c1-8(2)11(13(17)18)15-7-14-10-6-4-3-5-9(10)12(15)16/h3-8,11H,1-2H3,(H,17,18) |
| InChI Key | LZSQSGNCXDYHMC-UHFFFAOYSA-N |
| MDL Number | MFCD18064666 |
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.2619 |
| SMILES | N1(C(C(C)C)C(O)=O)C=NC2C(=CC=CC=2)C1=O |
| Synonyms | 880810-89-9,
3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoic acid,
3-METHYL-2-(4-OXO-3(4H)-QUINAZOLINYL)BUTANOIC ACID,
(2R)-3-METHYL-2-(4-OXOQUINAZOLIN-3(4H)-YL)-BUTANOIC ACID,
1217605-93-0,
(2S)-3-methyl-2-(4-oxo-3,4-dihydroquinazolin-3-yl)butanoic acid,
CTK5F9330,
BB_NC-01787,
ZX-CM018031,
MFCD06650464,
AKOS002211364,
AKOS016192779,
MCULE-4538491737,
FT-0684263,
ST45178713,
Y-2327,
F3351-0339,
3-methyl-2-(4-oxo(3-hydroquinazolin-3-yl))butanoic acid,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.266g/mol |
| Monoisotopic Mass | 246.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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