| CAS Number | 78626-99-0 |
| Catalog Number | AG00G9M7(AGN-PC-0UDM2X) |
| Chemical Name | Benzyl N-[(1S)-1-(isopropylcarbamoyl)ethyl]carbamate |
| IUPAC Name | benzyl N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate |
| InChI | InChI=1S/C14H20N2O3/c1-10(2)15-13(17)11(3)16-14(18)19-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,15,17)(H,16,18)/t11-/m0/s1 |
| InChI Key | VIXPRKOAOWOKGD-NSHDSACASA-N |
| MDL Number | MFCD22586687 |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.3202 |
| SMILES | C[C@@H](C(=O)NC(C)C)NC(=O)OCc1ccccc1 |
| Synonyms | BENZYL N-[(1S)-1-(ISOPROPYLCARBAMOYL)ETHYL]CARBAMATE,
78626-99-0,
SCHEMBL11515552,
KM1927,
ZINC17301593,
V7768,
C14H20N2O3,
CJ-15766,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.147393g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.32g/mol |
| Monoisotopic Mass | 264.147393g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number