Boc-L-2-allylglycine dicyclohexylamine salt

C₂₂H₄₀N₂O₄CAS 143979-15-1396.57 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₂₂H₄₀N₂O₄
Molar mass: 396.57 g/mol
Exact mass: 396.2988 Da
logP: 4.78Crippen estimate
Polar surface area: 87.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

143979-15-1

SMILES

CC(C)(C)OC(=O)N[C@@H](CC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChIKey

VMCGMPITVQIMGK-ZLTKDMPESA-N

InChI

InChI=1S/C12H23N.C10H17NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1

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Names and synonyms

1 names

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)pent-4-enoate

Work with Boc-L-2-allylglycine dicyclohexylamine salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-2-(((tert-Butoxy)carbonyl)amino)pent-4-enoic acid90600-20-7Free acid Boc-D-allylglycine170899-08-8Free acid, enantiomer Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt Z-D-Leu-OH.DCHA7662-58-0Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt

Similar compounds

(2S)-N-Boc-amino-non-8-enoic acid300831-21-472 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-561 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid37736-82-661 % similar Boc-L-6-hydroxynorleucine77611-37-158 % similar Boc-D-lys-oh106719-44-257 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-757 % similar Boc-asp(ochx)-oh73821-95-156 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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