Boc-ser(me)-oh

C₉H₁₇NO₅CAS 51293-47-1219.24 g/mol

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Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₉H₁₇NO₅
Molar mass: 219.24 g/mol
Exact mass: 219.1107 Da
logP: 0.61Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 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 2 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

51293-47-1

SMILES

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

InChIKey

RFGMSGRWQUMJIR-LURJTMIESA-N

InChI

InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1

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Names and synonyms

1 names

(2S)-2-(((tert-Butoxy)carbonyl)amino)-3-methoxypropanoic acid

Work with Boc-ser(me)-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

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.

N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-7Enantiomer

Similar compounds

Boc-D-abu-oh45121-22-071 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-469 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-069 % similar N-tert-Butyloxycarbonylcysteine20887-95-069 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-569 % similar Boc-D-nva-oh57521-85-469 % similar Boc-D-aspartic acid62396-48-969 % similar Boc-dap-oh73259-81-169 % 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 N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-2 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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