| CAS Number | 1314806-92-2 |
| Catalog Number | AG009X1S(AGN-PC-0WACKH) |
| Chemical Name | Benzyl N-[(1S)-1-(cyclopropylcarbamoyl)ethyl]carbamate |
| IUPAC Name | benzyl N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate |
| InChI | InChI=1S/C14H18N2O3/c1-10(13(17)16-12-7-8-12)15-14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,18)(H,16,17)/t10-/m0/s1 |
| InChI Key | HITJKRMPYWLVJM-JTQLQIEISA-N |
| MDL Number | MFCD22586686 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | C[C@@H](C(=O)NC1CC1)NC(=O)OCc1ccccc1 |
| Synonyms | BENZYL N-[(1S)-1-(CYCLOPROPYLCARBAMOYL)ETHYL]CARBAMATE,
1314806-92-2,
ZINC17123242,
AKOS026672713,
Z9582,
K-4112,
C14H18N2O3,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number