1,3-Di-Boc-2-(2-hydroxyethyl)guanidine

C₁₃H₂₅N₃O₅CAS 215050-11-6303.36 g/mol

Open in Covalent MOL file

Alcohol Carbamate Guanidine

Properties

Molecular formula: C₁₃H₂₅N₃O₅
Molar mass: 303.36 g/mol
Exact mass: 303.1794 Da
logP: 1.38Crippen estimate
Polar surface area: 109.3 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2

Identifiers

CAS number

215050-11-6

SMILES

CC(C)(C)OC(=O)NC(=NCCO)NC(=O)OC(C)(C)C

InChIKey

NHRGPOQWQFSEOH-UHFFFAOYSA-N

InChI

InChI=1S/C13H25N3O5/c1-12(2,3)20-10(18)15-9(14-7-8-17)16-11(19)21-13(4,5)6/h17H,7-8H2,1-6H3,(H2,14,15,16,18,19)

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Names and synonyms

1 names

1 3-Di-boc-2-(2-hydroxyethyl)guanidine

Work with 1,3-Di-Boc-2-(2-hydroxyethyl)guanidine

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

tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-254 % similar Boc-D-alg(boc)2-oh1931922-99-453 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-648 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-247 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-147 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-647 % similar N-Boc-peg6-alcohol331242-61-647 % similar tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-244 % similar

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

Elsewhere

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