| CAS Number | 631899-15-5 |
| Catalog Number | AG00ELAY(AGN-PC-0T7COW) |
| Chemical Name | Pentanoic acid, 4-Methyl-2-[[[(phenylMethoxy)carbonyl]aMino]Methyl]-, (2S)- |
| IUPAC Name | (2S)-4-methyl-2-(phenylmethoxycarbonylaminomethyl)pentanoic acid |
| InChI | InChI=1S/C15H21NO4/c1-11(2)8-13(14(17)18)9-16-15(19)20-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,18)/t13-/m0/s1 |
| InChI Key | YAZAEQMKZMDWPI-ZDUSSCGKSA-N |
| MDL Number | MFCD27992064 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | CC(C)C[C@@H](CNC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonyms | 631899-15-5,
(S)-2-((((BENZYLOXY)CARBONYL)AMINO)METHYL)-4-METHYLPENTANOIC ACID,
(2s)-4-methyl-2-(phenylmethoxycarbonylaminomethyl)pentanoic Acid,
FD6001,
MFCD27992064,
ZINC87187910,
AS-49260,
(S)-(+)-2-[(N-Cbz-amino)methyl]-4-methylpentanoic acid,
(R)-2-((((benzyloxy)carbonyl)amino)methyl)-4-methylpentanoicacid,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number