Boc-beta-Hoglu(Obzl)-OH

C₁₈H₂₅NO₆CAS 218943-30-7351.40 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₈H₂₅NO₆
Molar mass: 351.40 g/mol
Exact mass: 351.1682 Da
logP: 2.88Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

218943-30-7

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)CC(=O)O

InChIKey

JABNOCWCLLYHKE-AWEZNQCLSA-N

InChI

InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-14(11-15(20)21)9-10-16(22)24-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,23)(H,20,21)/t14-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Boc-L-beta-homoglutamic acid 6-benzyl ester

Work with Boc-beta-Hoglu(Obzl)-OH

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-beta-Homoaspartic acid254101-10-583 % similar Fmoc-beta-Hoglu(Otbu)-OH203854-49-367 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-560 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-260 % similar Boc-(R)-3-amino-4-(3-methyl-phenyl)-butyric acid269398-83-658 % similar Boc-(R)-3-amino-4-(2-naphthyl)-butyric acid219297-10-657 % similar Fmoc-beta-Glu(OtBu)-OH209252-17-557 % similar Boc-(S)-3-amino-4-(2-thienyl)-butyric acid190190-47-757 % similar

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

Same formula

Senecionine N-oxide13268-67-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook