chempirical

Boc-3-(2-naphthyl)-L-alanine

C18H21NO4CAS 58438-04-3315.37 g/mol

Open in Covalent MOL file
OONHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C18H21NO4
Molar mass
315.37 g/mol
Exact mass
315.1471 Da
logP
3.36Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
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
58438-04-3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O
InChIKey
URKWHOVNPHQQTM-HNNXBMFYSA-N
InChI
InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m0/s1

Weigh it out

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Work with Boc-3-(2-naphthyl)-L-alanine

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.

(2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic acid76985-10-9Enantiomer

Similar compounds

Boc-dl-phe-oh4530-18-175 % similar Boc-D-4,4'-biphenylalanine128779-47-573 % similar Boc-L-4,4'-biphenylalanine147923-08-873 % similar Boc-D-tyr-oh70642-86-370 % similar Boc-3-methyl-L-phenylalanine114873-06-270 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-270 % similar Boc-L-3,4-difluorophe198474-90-770 % similar Boc-3-chloro-D-phenylalanine80102-25-670 % similar

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

Same formula

Cephalotaxine24316-19-6

Elsewhere

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