chempirical

Boc-ala-ONp

C14H18N2O6CAS 2483-49-0310.31 g/mol

Open in Covalent MOL file
NHOOOON+OO−
EsterNitro

Properties

Molecular formula
C14H18N2O6
Molar mass
310.31 g/mol
Exact mass
310.1165 Da
Melting point
78 °C
logP
2.62Crippen estimate
Polar surface area
111.3 Ų
H-bond donors / acceptors
1 / 6
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
2483-49-0
SMILES
C[C@H](N=C(O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
SUHFNHHZORGDFI-VIFPVBQESA-N
InChI
InChI=1S/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-7-5-10(6-8-11)16(19)20/h5-9H,1-4H3,(H,15,18)/t9-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester
  • L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
  • Alanine, N-carboxy-, N-tert-butyl p-nitrophenyl ester, L-
  • Alanine, N-carboxy-, N-tert-butyl p-nitrophenyl ester
  • p-Nitrophenyl tert-butoxycarbonyl-L-alaninate
  • p-Nitrophenyl N-tert-butoxycarbonyl-L-alaninate
  • N-(tert-Butyloxycarbonyl)-L-alanine p-nitrophenyl ester
  • p-Nitrophenyl N-tert-butyloxycarbonyl-L-alaninate
  • tert-Butyloxycarbonyl-L-alanine p-nitrophenyl ester
  • N-tert-Butoxycarbonyl-L-alanine p-nitrophenyl ester
  • BOC-L-Alanine p-nitrophenyl ester
  • (4-Nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Work with Boc-ala-ONp

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

N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine 4-nitrophenyl ester4587-33-168 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine p-nitrophenyl ester7535-56-068 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine 4-nitrophenyl ester15387-45-866 % similar N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-L-lysine 4-nitrophenyl ester2592-19-066 % similar S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine 4-nitrophenyl ester58651-76-662 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-657 % similar Boc-D-phe-ONp16159-70-950 % similar (S)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate1738-87-050 % similar

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

Same formula

Boc-L-3-nitrophenylalanine131980-29-5 2-[1.1-Dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester136285-65-9 Boc-3-Nitro-D-phenylalanine158741-21-0 Boc-L-2-nitrophenylalanine185146-84-3 N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine33305-77-0 Boc-2-nitro-D-phenylalanine478183-69-6 Boc-D-4-nitrophe61280-75-9

Elsewhere

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