chempirical

tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide

C12H18N2O6CAS 3392-05-0286.28 g/mol

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AmideLactam

Properties

Molecular formula
C12H18N2O6
Molar mass
286.28 g/mol
Exact mass
286.1165 Da
Melting point
143–144 °C
logP
0.71Crippen estimate
Polar surface area
105.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3392-05-0
SMILES
C[C@H](N=C(O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O
InChIKey
COMUWNFVTWKSDT-ZETCQYMHSA-N
InChI
InChI=1S/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)/t7-/m0/s1

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Names and synonyms

12 names
  • L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • Succinimide, N-[(N-carboxy-L-alanyl)oxy]-, tert-butyl ester
  • Carbamic acid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
  • Alanine, N-carboxy-, N-tert-butyl ester, succinimido deriv., L-
  • L-Alanine, 2,5-pyrrolidinedione deriv.
  • N-tert-Butoxycarbonyl-L-alanine N-hydroxysuccinimide ester
  • tert-Butoxycarbonyl-L-alanine succinimido ester
  • N-tert-Butyloxycarbonyl-L-alanine N-hydroxysuccinimide ester
  • NSC 334372
  • tert-Butyloxycarbonyl-L-alanine N-hydroxysuccinimide ester
  • (S)-2,5-Dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)propanoate

Work with tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide

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

N-(tert-Butyloxycarbonyl)-L-valine ester with N-hydroxysuccinimide3392-12-973 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3392-09-470 % similar N-(tert-Butyloxycarbonyl)-L-isoleucine N-hydroxysuccinimide ester3392-08-367 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl ester3674-18-860 % similar (2,5-Dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate3401-36-358 % similar Boc-L-alanine15761-38-356 % similar Boc-D-alanine7764-95-656 % similar N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-255 % similar

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

Elsewhere

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