(R)-2-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)acetic acid

C13H16ClNO4CAS 53994-85-7285.72 g/mol

Open in Covalent MOL file
OONHClOOH
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C13H16ClNO4
Molar mass
285.72 g/mol
Exact mass
285.0768 Da
logP
2.99Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
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
53994-85-7
SMILES
CC(C)(C)OC(=O)N[C@H](C1=CC=C(C=C1)Cl)C(=O)O
InChIKey
ZZONJNNLTAGSHB-SNVBAGLBSA-N
InChI
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1

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Names and synonyms

1 names
  • N-Boc-(4'-chlorophenyl)glycine

Work with (R)-2-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)acetic 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

Similar compounds

Boc-D-phenylglycine33125-05-276 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-976 % similar Boc-L-4-chlorophe68090-88-065 % similar (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid479064-90-962 % similar Boc-L-3,3-diphenylalanine138662-63-257 % similar (R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-657 % similar Boc-3-chloro-D-phenylalanine80102-25-656 % similar (2R,3S)-Boc-3-phenylisoserine145514-62-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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