Boc-L-serine methyl ester

C₉H₁₇NO₅CAS 2766-43-0219.24 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ester

Properties

Molecular formula: C₉H₁₇NO₅
Molar mass: 219.24 g/mol
Exact mass: 219.1107 Da
logP: 0.05Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vapor25% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H361 Suspected of damaging fertility or the unborn child25% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers
H400 Very toxic to aquatic life25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2766-43-0

SMILES

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

InChIKey

SANNKFASHWONFD-LURJTMIESA-N

InChI

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

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

Names and synonyms

1 names

N-Boc-L-serine methyl ester

Work with Boc-L-serine methyl ester

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-D-ser-ome95715-85-8Enantiomer

Similar compounds

Boc-3-iodo-D-alanine methyl ester170848-34-770 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-070 % similar Boc-leu-ome63096-02-668 % similar (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-766 % similar Boc-val-ome58561-04-961 % similar Boc-phe-ome51987-73-661 % similar Methyl N-(tert-butoxycarbonyl)-L-threoninate79479-07-560 % similar Boc-D-ser-obzl141527-78-860 % 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 N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-2 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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