D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)

C₁₁H₂₃ClN₄O₄CAS 113712-06-4310.78 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₁₁H₂₃ClN₄O₄
Molar mass: 310.78 g/mol
Exact mass: 310.1408 Da
logP: 0.85Crippen estimate
Polar surface area: 141.0 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

113712-06-4

SMILES

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

InChIKey

HDELGKMVZYHPPB-OGFXRTJISA-N

InChI

InChI=1S/C11H22N4O4.ClH/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);1H/t7-;/m1./s1

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Names and synonyms

1 names

D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride

Work with D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)

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

D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride, monohydrate204070-00-894 % similar N-tert-Butoxycarbonyl-L-arginine13726-76-694 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-063 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-361 % similar N-Acetyl-L-arginine155-84-061 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-659 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-058 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-058 % similar

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

Same formula

N2-tert-Butyloxycarbonyl-L-arginine monohydrochloride35897-34-8

Elsewhere

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