(2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid

C₉H₁₈N₂O₄CAS 25691-37-6218.25 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: Sin SMILES atom order

Identifiers

CAS number

25691-37-6

SMILES

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

InChIKey

MDCPCLPRWLKUIQ-LURJTMIESA-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-/m0/s1

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Names and synonyms

1 names

Boc-L-2,4-diaminobutyric acid

Work with (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic 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

Similar compounds

Boc-orn-oh21887-64-985 % similar Boc-D-lys-oh106719-44-283 % similar Boc-D-glu(otbu)-oh104719-63-369 % similar Boc-L-glutamic acid2419-94-569 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-766 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-466 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-066 % similar N-tert-Butyloxycarbonylcysteine20887-95-066 % 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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