N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine

C₉H₁₇NO₅CAS 41088-86-2219.24 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₉H₁₇NO₅
Molar mass: 219.24 g/mol
Exact mass: 219.1107 Da
logP: 0.55Crippen estimate
Polar surface area: 99.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

41088-86-2

SMILES

CC(C)(C)OC(O)=N[C@@H](CCO)C(=O)O

InChIKey

PZEMWPDUXBZKJN-LURJTMIESA-N

InChI

InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-6(4-5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1

Weigh it out

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

Names and synonyms

4 names

L-Homoserine, N-[(1,1-dimethylethoxy)carbonyl]-
N-tert-Butoxycarbonyl-L-homoserine
(S)-2-(tert-Butoxycarbonylamino)-4-hydroxybutanoic acid
(2S)-2-(((tert-Butoxy)carbonyl)amino)-4-hydroxybutanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine

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-serine3262-72-474 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-374 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-673 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-071 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-071 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-869 % similar Boc-L-methionine2488-15-569 % similar N-(tert-Butyloxycarbonyl)-D-methionine5241-66-769 % similar

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

Same formula

Boc-N-me-ser-oh101772-29-6 N-tert-Butoxycarbonyl-L-threonine2592-18-9 Boc-L-serine methyl ester2766-43-0 Boc-ser(me)-oh51293-47-1 N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-4 (+)-Pantothenic acid79-83-4 N-Boc-alpha-methyl-D-serine84311-18-2 N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-3

Elsewhere

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