Boc-D-2,4-diaminobutyric acid

C₉H₁₈N₂O₄CAS 80445-78-9218.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₈N₂O₄
Molar mass: 218.25 g/mol
Exact mass: 218.1267 Da
logP: 0.31Crippen estimate
Polar surface area: 101.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

80445-78-9

SMILES

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

InChIKey

MDCPCLPRWLKUIQ-ZCFIWIBFSA-N

InChI

InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m1/s1

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Work with Boc-D-2,4-diaminobutyric 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.

(2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-6Enantiomer

Similar compounds

Boc-orn-oh21887-64-985 % similar Boc-D-lys-oh106719-44-283 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-574 % similar Boc-D-nva-oh57521-85-474 % similar Boc-dap-oh73259-81-174 % similar 3-Amino-N-(tert-butoxycarbonyl)-D-alanine76387-70-774 % similar Boc-D-glutamine61348-28-571 % similar Boc-D-glu(otbu)-oh104719-63-369 % similar

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

Same formula

Boc-glycine N,O-dimethylhydroxamide121505-93-9 Meprobamate57-53-4

Elsewhere

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