chempirical

Boc-leu-oh monohydrate

C11H23NO5CAS 200936-87-4249.31 g/mol

Open in Covalent MOL file
NHOOOHOH2O
Carboxylic acid

Properties

Molecular formula
C11H23NO5
Molar mass
249.31 g/mol
Exact mass
249.1576 Da
Melting point
74 °C
logP
1.39Crippen estimate
Polar surface area
110.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
200936-87-4
SMILES
CC(C)C[C@H](N=C(O)OC(C)(C)C)C(=O)O.O
InChIKey
URQQEIOTRWJXBA-QRPNPIFTSA-N
InChI
InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1

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

Names and synonyms

3 names
  • L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)
  • L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate
  • (S)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid hydrate

Work with Boc-leu-oh monohydrate

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-L-leucine13139-15-692 % similar tert-Butoxycarbonyl-D-leucine16937-99-892 % similar Boc-L-serine3262-72-464 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-864 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-364 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-863 % similar N-tert-Butoxycarbonyl-L-aspartic acid13726-67-561 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-261 % similar

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

Same formula

1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate139115-92-7

Elsewhere

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