N-Acetyl-D-leucine

C₈H₁₅NO₃CAS 19764-30-8173.21 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₈H₁₅NO₃
Molar mass: 173.21 g/mol
Exact mass: 173.1052 Da
logP: 0.62Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19764-30-8

SMILES

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

InChIKey

WXNXCEHXYPACJF-SSDOTTSWSA-N

InChI

InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1

Weigh it out

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

Work with N-Acetyl-D-leucine

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-Acetyl-L-leucine1188-21-2Enantiomer Acetylleucine99-15-0Stereo not defined R-Tetrahydropapaverine N-acetyl-L-leucinate141109-12-8Salt, enantiomer (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine N-acetyl-L-leucine salt608141-43-1Salt, enantiomer

Similar compounds

2-Acetamidopentanoic acid7682-15-760 % similar Glycyl-D-leucine688-13-159 % similar N-Acetyl-dl-norleucine7682-16-857 % similar Glycylglycyl-L-leucine14857-82-054 % similar (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-851 % similar Boc-D-leu-oh H2O200937-17-351 % similar N-Cbz-D-leucine28862-79-548 % similar N-Carbobenzoxy-dl-leucine3588-60-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7 6-Acetylaminocaproic acid57-08-9

Elsewhere

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