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

C24H46N2O5CAS 18942-50-2442.64 g/mol

Open in Covalent MOL file
NHONHOOOOH
Carboxylic acidEtherSecondary 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 Ų
H-bond donors / acceptors
3 / 5
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.

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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

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.

N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-8Free acid Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-4Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt Z-D-Leu-OH.DCHA7662-58-0Salt

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-061 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-061 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-760 % similar Epsilon-tert-Butyloxycarbonyl-lysine13734-28-659 % similar 5-Cyclohexyl hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate73821-97-357 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-257 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-156 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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