Basic information
- CAS
3392-05-0- Standard SMILES
CC(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O- InChIKey
COMUWNFVTWKSDT-UHFFFAOYSA-N- Molecular formula
- C12H18N2O6
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.1164863
Names & identifiers
- Preferred name
- Succinimido (S)-2-((tert-butoxycarbonyl)amino)propionate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- Succinimido (S)-2-[(tert-butoxycarbonyl)amino]propionate
- Molecular formula
- C12H18N2O6
- Molecular weight
- 286.28
Names & synonyms
Succinimido (S)-2-[(tert-butoxycarbonyl)amino]propionateEINECS 222-229-7NSC 334372Succinimido (S)-2-((tert-butoxycarbonyl)amino)propionateRefChem:382463222-229-73392-05-0Boc-D-alanine N-hydroxysuccinimide ester2-tert-butoxycarbonylamino-propionic acid 2,5-dioxopyrrolidin-1-yl esterNSC334372SCHEMBL356359COMUWNFVTWKSDT-UHFFFAOYSA-N
Show more names
Boc-Ala-OSuBOC-L-ALA-OSUBOC-D-ALA-OSUBoc-Ala-OSu, BRBOC-D-ALANINE-OSUBOC-L-Alanine-OsuBOC-ALA-OSU CAS:3392-05-0(Tert-Butoxy)Carbonyl Ala-OSuN-Boc-L-alanine N-succinimidylBoc-L-Alanine N-hydroxysuccinimde
(2,5-dioxopyrrolidin-1-yl) 2-(tert-butoxycarbonylamino)propanoateNSC-334372(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate73488-76-3DA-31790NS00049947Succinimido (S)-2-[(tert-butoxycarbonyl)-amino]propionate
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Melting point
- 161 · 161-163 °C
- alpha
- -52 · -52 º (c=2.5% in dioxane)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 1 % · Soluble in water or 1% acetic acid
- form
- Powder
- pka
- 10.81 · 10.81±0.46(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D 52±3.5°, c = 2.5% in dioxane
- Sensitive
- Moisture Sensitive
- BRN
- 3560476 · 3560476
- Major Application
- peptide synthesis
- InChI
- 1S/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)/t7-/m0/s1
- InChIKey
- COMUWNFVTWKSDT-ZETCQYMHSA-N
- SMILES
- C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O
Safety & regulation
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29224999
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesReactant involved in synthesis of:Muramyldipeptide analogs via solid-phase synthesisMicrocin C analogs for use as antibacterialsLipid I and nucleoside diphosphate peptide derivatives via N-methylimidazolium chloride catalyzed couplingN-Protected dipeptide acidsFree and peptide-bound glycated amino acids for studies of interactions with human Caco-2 interstinal epithelial cell apical membrane transport proteins7-Substituted camptothecin conjugates with RGD-peptides as avβ3 integrin ligands
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
3 records
Compound notes
Loading…