Boc-L-cyclopropylalanine-dcha

C23H42N2O4CAS 89483-07-8410.60 g/mol

Open in Covalent MOL file
OONHOHONH
CarbamateCarboxylic acidSecondary amine

Properties

Molecular formula
C23H42N2O4
Molar mass
410.60 g/mol
Exact mass
410.3145 Da
logP
5.01Crippen estimate
Polar surface area
87.7 Ų
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.

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Identifiers

CAS number
89483-07-8
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChIKey
MQINYDUVLDJIAC-WDBKTSHHSA-N
InChI
InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7/h11-13H,1-10H2;7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t;8-/m.0/s1

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Type any one amount. The others follow from the molar mass.

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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.

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 Boc-N-me-phe DCHA40163-88-0Salt

Similar compounds

Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-584 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid37736-82-684 % similar Boc-L-6-hydroxynorleucine77611-37-161 % similar Boc-D-lys-oh106719-44-260 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-760 % similar (2S)-N-Boc-amino-non-8-enoic acid300831-21-460 % similar Boc-asp(ochx)-oh73821-95-160 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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