N2-(tert-Butoxycarbonyl)-L-arginine

C₁₁H₂₂N₄O₄CAS 13726-76-6274.32 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₁₁H₂₂N₄O₄
Molar mass: 274.32 g/mol
Exact mass: 274.1641 Da
Melting point: 121–124 °C
logP: 0.43Crippen estimate
Polar surface area: 141.0 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 6
Stereocentres: Sin 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 2 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

13726-76-6

SMILES

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

InChIKey

HSQIYOPBCOPMSS-ZETCQYMHSA-N

InChI

InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1

Weigh it out

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

Names and synonyms

10 names

N-tert-Butoxycarbonyl-L-arginine
L-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-
Arginine, N2-carboxy-, N2-tert-butyl ester, L-
N2-[(1,1-Dimethylethoxy)carbonyl]-L-arginine
N-α-Butyloxycarbonyl-L-arginine
N2-tert-Butoxycarbonyl-L-arginine
(S)-2-[(tert-Butoxycarbonyl)amino]-5-guanidinopentanoic acid
Boc-L-arginine
(2S)-5-(Diaminomethylideneazaniumyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
(2S)-2-[[(tert-Butoxy)carbonyl]amino]-5-carbamimidamidopentanoic acid

Work with N2-(tert-Butoxycarbonyl)-L-arginine

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.

N2-tert-Butyloxycarbonyl-L-arginine monohydrochloride35897-34-8Salt D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)113712-06-4Salt, enantiomer D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride, monohydrate204070-00-8Salt, enantiomer

Similar compounds

N-Acetyl-L-arginine155-84-065 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-364 % similar Epsilon-tert-Butyloxycarbonyl-lysine13734-28-663 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-062 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-062 % similar Benzyloxycarbonyl-L-arginine1234-35-161 % similar N-Benzyloxycarbonyl-D-arginine6382-93-061 % similar Boc-L-glutamine13726-85-760 % similar

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

Elsewhere

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