chempirical

(R)-N-Boc-propargylglycine

C10H15NO4CAS 63039-46-3213.23 g/mol

Open in Covalent MOL file
OONHOHO
AlkyneCarbamateCarboxylic acid

Properties

Molecular formula
C10H15NO4
Molar mass
213.23 g/mol
Exact mass
213.1001 Da
logP
0.99Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
63039-46-3
SMILES
CC(C)(C)OC(=O)N[C@H](CC#C)C(=O)O
InChIKey
AMKHAJIFPHJYMH-SSDOTTSWSA-N
InChI
InChI=1S/C10H15NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (2R)-2-(((tert-Butoxy)carbonyl)amino)pent-4-ynoic acid

Work with (R)-N-Boc-propargylglycine

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

Similar compounds

Boc-D-asparagine75647-01-768 % similar Boc-D-abu-oh45121-22-068 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-466 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-066 % similar N-tert-Butyloxycarbonylcysteine20887-95-066 % similar Boc-ser(me)-oh51293-47-166 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-566 % similar Boc-D-nva-oh57521-85-466 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Cyano-1,1-propanedicarboxylic acid diethyl ester17216-62-5 Boc-3,4-dehydro-pro-oh51154-06-4 tert-Butyl 2,4-dioxopiperidine-1-carboxylate845267-78-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook