Boc-gly-leu-oh

C₁₃H₂₄N₂O₅CAS 51871-42-2288.34 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₂₄N₂O₅
Molar mass: 288.34 g/mol
Exact mass: 288.1685 Da
logP: 1.13Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51871-42-2

SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)OC(C)(C)C

InChIKey

RGNNFKYULPHSJI-VIFPVBQESA-N

InChI

InChI=1S/C13H24N2O5/c1-8(2)6-9(11(17)18)15-10(16)7-14-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16)(H,17,18)/t9-/m0/s1

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Work with Boc-gly-leu-oh

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-D-leu-oh H2O200937-17-371 % similar Glycylglycyl-L-leucine14857-82-060 % similar Glycyl-D-leucine688-13-154 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-554 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid37736-82-654 % similar Boc-orn(boc)-oh57133-29-654 % similar (R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-853 % similar (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-353 % similar

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

Same formula

N2-Acetyl-N6-[(1,1-dimethylethoxy)carbonyl]-L-lysine23500-04-1 (S)-2-(2-((tert-Butoxycarbonyl)amino)-4-methylpentanamido)acetic acid32991-17-6 Boc-lys(ac)-oh6404-26-8

Elsewhere

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