Boc-glu(ome)-oh

C₁₁H₁₉NO₆CAS 45214-91-3261.27 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₁H₁₉NO₆
Molar mass: 261.27 g/mol
Exact mass: 261.1212 Da
logP: 0.92Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

45214-91-3

SMILES

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

InChIKey

OHYMUFVCRVPMEY-ZETCQYMHSA-N

InChI

InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-2-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid

Work with Boc-glu(ome)-oh

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-glu(ome)-oh dcha14406-17-8Salt

Similar compounds

Boc-D-glu(otbu)-oh104719-63-383 % similar Boc-L-aspartic acid 4-methyl ester59768-74-079 % similar Boc-L-glutamic acid2419-94-570 % similar Boc-D-glu-oh34404-28-970 % similar Boc-D-glutamine61348-28-569 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-067 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-567 % similar Boc-D-nva-oh57521-85-467 % similar

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

Same formula

(2Rs)-lotaustralin1973415-50-7 (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-7

Elsewhere

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