Boc-D-glutamine

C₁₀H₁₈N₂O₅CAS 61348-28-5246.26 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₈N₂O₅
Molar mass: 246.26 g/mol
Exact mass: 246.1216 Da
logP: 0.23Crippen estimate
Polar surface area: 118.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

61348-28-5

SMILES

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

InChIKey

VVNYDCGZZSTUBC-ZCFIWIBFSA-N

InChI

InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/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)-4-carbamoylbutanoic acid

Work with Boc-D-glutamine

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-L-glutamine13726-85-7Enantiomer

Similar compounds

Boc-D-asparagine75647-01-778 % similar Boc-D-glu(otbu)-oh104719-63-374 % similar Boc-L-glutamic acid2419-94-574 % similar Boc-D-glu-oh34404-28-974 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-671 % similar Boc-D-2,4-diaminobutyric acid80445-78-971 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-571 % similar Boc-D-nva-oh57521-85-471 % similar

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

Same formula

Boc-glu-nh218800-74-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook