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

C₈H₁₅NO₅CAS 6368-20-3205.21 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₈H₁₅NO₅
Molar mass: 205.21 g/mol
Exact mass: 205.0950 Da
Melting point: 50–52 °C
logP: 0.16Crippen estimate
Polar surface area: 99.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H315 Causes skin irritation14.3% of notifiers
H318 Causes serious eye damage57.1% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6368-20-3

SMILES

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

InChIKey

FHOAKXBXYSJBGX-RXMQYKEDSA-N

InChI

InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1

Weigh it out

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

Names and synonyms

11 names

D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-
Serine, N-carboxy-, N-tert-butyl ester, D-
N-tert-Butoxycarbonyl-D-serine
tert-(Butoxycarbonyl)-D-serine
BOC-D-Serine
(R)-2-(tert-Butoxycarbonylamino)-3-hydroxypropanoic acid
N-Boc-D-serine
(R)-tert-Butoxycarbonyl-D-serine
(2R)-3-Hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(2R)-2-[[(tert-Butoxy)carbonyl]amino]-3-hydroxypropanoic acid
(R)-2-tert-Butoxycarbonylamino-3-hydroxy propionic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-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-L-serine3262-72-4Enantiomer

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-274 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-873 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-871 % similar Boc-L-leucine13139-15-669 % similar N-(tert-Butoxycarbonyl)-L-aspartic acid13726-67-569 % similar tert-Butoxycarbonyl-D-leucine16937-99-869 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-769 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-668 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate625-03-6

Elsewhere

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