N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine

C₉H₁₇NO₅CAS 86123-95-7219.24 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₉H₁₇NO₅
Molar mass: 219.24 g/mol
Exact mass: 219.1107 Da
logP: 0.82Crippen estimate
Polar surface area: 88.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

86123-95-7

SMILES

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

InChIKey

RFGMSGRWQUMJIR-ZCFIWIBFSA-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-/m1/s1

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

Names and synonyms

5 names

D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-
(R)-2-(tert-Butoxycarbonylamino)-3-methoxypropionic acid
(2R)-3-Methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(R)-2-((tert-Butoxycarbonyl)amino)-3-methoxypropanoic acid
(2R)-2-[[(tert-Butoxy)carbonyl]amino]-3-methoxypropanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine

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-ser(me)-oh51293-47-1Enantiomer

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-876 % similar Boc-L-serine3262-72-469 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-869 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-369 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-067 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-067 % similar Boc-L-leucine13139-15-666 % similar N-(tert-Butoxycarbonyl)-L-aspartic acid13726-67-566 % 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

Elsewhere

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