| CAS Number | 1216122-04-1 |
| Catalog Number | AG01A8G7 |
| Chemical Name | 2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-5-yl]acetic acid |
| IUPAC Name | 2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetic acid |
| InChI | InChI=1S/C11H15N3O3/c1-7-8(6-9(15)16)10(17)13-11(12-7)14-4-2-3-5-14/h2-6H2,1H3,(H,15,16)(H,12,13,17) |
| InChI Key | QWNDRJWYPFPGJJ-UHFFFAOYSA-N |
| MDL Number | MFCD13344977 |
| Molecular Formula | C11H15N3O3 |
| Molecular Weight | 237.2551 |
| SMILES | CC1=C(CC(O)=O)C(=O)NC(N2CCCC2)=N1 |
| Synonyms | 2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-5-yl]acetic acid,
1216122-04-1,
AC1Q2EZB,
ZINC40543622,
AKOS010560776,
MCULE-6575074925,
NE51926,
EN300-61536,
Z1259155871,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.259g/mol |
| Monoisotopic Mass | 237.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number