Boc-L-glutamic acid

C₁₀H₁₇NO₆CAS 2419-94-5247.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₇NO₆
Molar mass: 247.25 g/mol
Exact mass: 247.1056 Da
logP: 0.83Crippen estimate
Polar surface area: 112.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2419-94-5

SMILES

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

InChIKey

AQTUACKQXJNHFQ-LURJTMIESA-N

InChI

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

Weigh it out

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

Work with Boc-L-glutamic 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.

Boc-D-glu-oh34404-28-9Enantiomer

Similar compounds

Boc-D-aspartic acid62396-48-977 % similar Boc-D-glu(otbu)-oh104719-63-376 % similar Boc-D-glu-otbu73872-71-676 % similar Boc-D-glutamine61348-28-574 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-573 % similar Boc-D-nva-oh57521-85-473 % similar Boc-glu-nh218800-74-372 % similar Boc-glu(ome)-oh45214-91-370 % 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-aspartic acid 4-methyl ester59768-74-0

Elsewhere

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