(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

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P501

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

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