Boc-ala-nh2

C₈H₁₆N₂O₃CAS 85642-13-3188.23 g/mol

Open in Covalent MOL file

Amide Carbamate

Properties

Molecular formula: C₈H₁₆N₂O₃
Molar mass: 188.23 g/mol
Exact mass: 188.1161 Da
logP: 0.38Crippen estimate
Polar surface area: 81.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
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

85642-13-3

SMILES

C[C@@H](C(=O)N)NC(=O)OC(C)(C)C

InChIKey

GZKKSKKIABUUCX-YFKPBYRVSA-N

InChI

InChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1

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Work with Boc-ala-nh2

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

Boc-dl-alanine3744-87-461 % similar Boc-L-alanine methyl ester28875-17-459 % similar Boc-D-alanine methyl ester91103-47-859 % similar tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate146552-71-854 % similar Boc-glu-nh218800-74-352 % similar Boc-L-alaninal79069-50-450 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-149 % similar 3-N-Boc-amino-azetidine91188-13-549 % similar

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

Same formula

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-5 Glycyl-dl-norleucine1504-41-2 Glycyl-L-isoleucine19461-38-2 N-Acetyl-L-lysine1946-82-3 L-Asparagine tert-butyl ester25456-86-4 H-Val-ala-oh27493-61-4 Leucylglycine615-82-7 L-Leucylglycine686-50-0

Elsewhere

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