| CAS Number | 1159138-98-3 |
| Catalog Number | AG000H3B(AGN-PC-0WCR8H) |
| Chemical Name | (S)-3-(benzyloxycarbonylamino)-4,4-dimethylpentanoic acid |
| IUPAC Name | (3S)-4,4-dimethyl-3-(phenylmethoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C15H21NO4/c1-15(2,3)12(9-13(17)18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1 |
| InChI Key | PAENHBDXAWYRRZ-LBPRGKRZSA-N |
| MDL Number | MFCD18711404 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N[C@@H](CC(=O)O)C(C)(C)C |
| Synonyms | 1159138-98-3,
(S)-3-(((Benzyloxy)carbonyl)amino)-4,4-dimethylpentanoic acid,
(S)-3-CBZ-AMINO-3-T-BUTYL-PROPANOIC ACID,
(S)-3-(benzyloxycarbonylamino)-4,4-dimethylpentanoic acid,
MFCD18711404,
ZINC66054696,
AKOS026670184,
FCH2733237,
AS-35635,
AX8266495,
X-3903,
Pentanoic acid, 4,4-diMethyl-3-[[(phenylMethoxy)carbonyl]aMino]-, (3S)-,
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| Complexity | 329 |
| 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 | 7 |
| 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
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Certificate of Analysis
Lot Number