Boc-(R)-3-amino-4-(2-naphthyl)-butyric acid

C19H23NO4CAS 219297-10-6329.40 g/mol

Open in Covalent MOL file
OONHOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C19H23NO4
Molar mass
329.40 g/mol
Exact mass
329.1627 Da
logP
3.75Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
219297-10-6
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)CC(=O)O
InChIKey
RKULNBHGHIPRGC-MRXNPFEDSA-N
InChI
InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-16(12-17(21)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1

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Work with Boc-(R)-3-amino-4-(2-naphthyl)-butyric acid

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.

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenebutanoic acid219297-11-7Enantiomer

Similar compounds

(S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-678 % similar Boc-(R)-3-amino-4-(3-methyl-phenyl)-butyric acid269398-83-672 % similar Boc-(S)-3-amino-4-(3-chloro-phenyl)-butyric acid270596-39-972 % similar Boc-(R)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid269396-59-071 % similar Boc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-85-870 % similar Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid218608-97-069 % similar Boc-(R)-3-amino-4-(4-fluoro-phenyl)-butyric acid218609-00-869 % similar Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid269396-71-669 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sinomenine115-53-7 (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-naphthalenebutanoic acid190190-49-9 Boc-(S)-3-amino-4-(1-naphthyl)-butyric acid219297-09-3

Elsewhere

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