L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)

C₂₄H₄₆N₂O₅CAS 18942-50-2442.64 g/mol

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Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₂₄H₄₆N₂O₅
Molar mass: 442.64 g/mol
Exact mass: 442.3407 Da
logP: 5.23Crippen estimate
Polar surface area: 100.4 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

18942-50-2

SMILES

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

InChIKey

AIEUUHIXSUNTGV-QRPNPIFTSA-N

InChI

InChI=1S/C12H23NO5.C12H23N/c1-11(2,3)17-7-8(9(14)15)13-10(16)18-12(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,13,16)(H,14,15);11-13H,1-10H2/t8-;/m0./s1

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Names and synonyms

1 names

Alanine, 3-tert-butoxy-N-carboxy-, N-tert-butyl ester, compd. with dicyclohexylamine (1:1), L-

Work with L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)

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

Similar compounds

L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)21947-32-078 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-877 % similar L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-874 % similar L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-873 % similar L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)65710-58-962 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-061 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-061 % similar Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-861 % similar

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

Elsewhere

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