chempirical

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. Search the SDS library

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.

Work with Boc-L-cyclopropylalanine-dcha

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 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 N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt 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 L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-7Salt L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16879-90-6Salt Boc-D-dab(Z)-oh dcha101854-42-6Salt

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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