Boc-L-aspartic acid 4-methyl ester

C₁₀H₁₇NO₆CAS 59768-74-0247.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₀H₁₇NO₆
Molar mass: 247.25 g/mol
Exact mass: 247.1056 Da
logP: 0.53Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4
Stereocentres: Sin 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

59768-74-0

SMILES

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

InChIKey

WFPSMPYVXFVVFA-LURJTMIESA-N

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1

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Work with Boc-L-aspartic acid 4-methyl ester

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-L-aspartic acid 4-tert-butyl ester1676-90-082 % similar Boc-glu(ome)-oh45214-91-379 % similar Boc-ser(me)-oh51293-47-168 % similar Boc-D-aspartic acid62396-48-968 % similar Boc-D-glu(otbu)-oh104719-63-367 % similar Boc-asp(ochx)-oh73821-95-167 % similar Boc-D-asparagine75647-01-767 % similar Boc-glu(ome)-oh dcha14406-17-866 % similar

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

Same formula

2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid137401-45-7 Boc-L-glutamic acid2419-94-5 Boc-D-glu-oh34404-28-9

Elsewhere

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