3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid (CAS 500770-78-5) — formula C15H18F3NO4, molecular weight 333.30; category organic chemicals.
| CAS Number | 500770-78-5 |
|---|---|
| Molecular Formula | C15H18F3NO4 |
| Molecular Weight | 333.30 |
| LogP | 2.8 |
| Category | Organic Chemicals |
3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid is a carbon-based organic compound with CAS registry number 500770-78-5 and molecular formula C15H18F3NO4 (molecular weight 333.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 500770-78-5
Its molecular formula C15H18F3NO4 comprises 15 C, 18 H, 3 F, 1 N, 4 O atoms.
Also known as: 3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid · Boc-（S）-3-氨基-3-（3-三氟甲基苯基）-丙酸
Category: organic chemicals
The CAS registry number of 3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid is 500770-78-5.
Molecular formula C15H18F3NO4, molecular weight 333.30.
It is also registered under: 3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid, Boc-（S）-3-氨基-3-（3-三氟甲基苯基）-丙酸.
Category: Organic Chemicals.
Independent reference data for 3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid (CAS 500770-78-5), compiled from public chemistry databases.
| CAS 号 | 500770-78-5 |
|---|---|
| PubChem CID | 7014960 |
| 分子式 | C15H18F3NO4 |
| IUPAC 名称 | (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid |
| Molecular Weight | 333.30 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 333.11879254 |
| Monoisotopic Mass | 333.11879254 |
| Topological Polar Surface Area | 75.6 |
| Heavy Atom Count | 23 |
Boc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid; RefChem:569738; 800-741-7; 500770-78-5; (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid; MFCD03427926; (S)-Boc-3-(trifluoromethyl)-beta-Phe-OH; (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic Acid; Boc-3-Trifluoromethyl-L-b-phenylalanine; (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-[3-(trifluoromethyl)phenyl]propanoic acid; (S)-Boc-3-(trifluoromethyl)-|A-Phe-OH; SCHEMBL15226726; DTXSID00426706; UPKLBXIBSSZUID-NSHDSACASA-N; (S)-Boc-beta-Phe(3-CF3)-OH; AKOS016843676
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
Boc-（S）-3-氨基-3-（3-三氟甲基苯基）-丙酸 · CAS 500770-78-5 · C15H18F3NO4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.