(R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid

C₁₅H₂₁NO₅CAS 47173-80-8295.34 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₅H₂₁NO₅
Molar mass: 295.34 g/mol
Exact mass: 295.1420 Da
logP: 2.18Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

47173-80-8

SMILES

CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)O

InChIKey

DMBKPDOAQVGTST-GFCCVEGCSA-N

InChI

InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1

Weigh it out

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

Names and synonyms

1 names

N-Boc-O-benzyl-D-serine

Work with (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid

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-tert-Butoxycarbonyl-O-benzylserine23680-31-1Enantiomer

Similar compounds

Boc-dl-phe-oh4530-18-176 % similar Boc-L-homophenylalanine100564-78-174 % similar Boc-D-homophenylalanine82732-07-874 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-474 % similar Boc-dap(Z)-oh65710-57-873 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-870 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-870 % similar Boc-D-tyr(bzl)-oh63769-58-470 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate124605-42-1 Boc-D-ser-obzl141527-78-8 O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-1 Boc-homo-L-tyrosine198473-94-8 3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid284493-53-4 Boc-tyr-OMe4326-36-7 Boc-O-methyl-L-tyrosine53267-93-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook