| CAS Number | 188777-45-9 |
| Catalog Number | AG01DL5O(AGN-PC-0QI29L) |
| Chemical Name | (S)-2-(1-Benzyl-2-(tert-butoxycarbonyl)hydrazinyl)propanoic acid |
| IUPAC Name | (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoic acid |
| InChI | InChI=1S/C15H22N2O4/c1-11(13(18)19)17(10-12-8-6-5-7-9-12)16-14(20)21-15(2,3)4/h5-9,11H,10H2,1-4H3,(H,16,20)(H,18,19)/t11-/m0/s1 |
| InChI Key | VGRRUKULDYLAHI-NSHDSACASA-N |
| MDL Number | MFCD22574082 |
| Molecular Formula | C15H22N2O4 |
| Molecular Weight | 294.3462 |
| SMILES | C[C@H](N(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(O)=O |
| Synonyms | (S)-2-(1-BENZYL-2-BOC-HYDRAZINYL)PROPANOIC ACID,
199605-10-2,
188777-45-9,
AC1MBYE1,
(S)-2-(1-Benzyl-2-(tert-butoxycarbonyl)hydrazinyl)propanoic acid,
MFCD22574082,
AKOS027252540,
AS-38572,
N-(tert-Butyloxycarbonylamino)-N-benzyl-L-alanine,
(2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoic acid,
CID2733221,
(2R)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoic Acid,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.351g/mol |
| Monoisotopic Mass | 294.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number