(2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid

C₁₆H₃₀N₂O₆CAS 2483-46-7346.42 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₆H₃₀N₂O₆
Molar mass: 346.42 g/mol
Exact mass: 346.2104 Da
logP: 2.66Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7
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 3 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

2483-46-7

SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChIKey

FBVSXKMMQOZUNU-NSHDSACASA-N

InChI

InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m0/s1

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Names and synonyms

1 names

Boc-lys(boc)-oh

Work with (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic 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.

L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-8Salt

Similar compounds

Boc-orn(boc)-oh57133-29-692 % similar Boc-lys(ac)-oh6404-26-882 % similar Boc-L-6-hydroxynorleucine77611-37-174 % similar Boc-D-lys-oh106719-44-273 % similar Boc-orn-oh21887-64-970 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-770 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-569 % similar Boc-D-nva-oh57521-85-469 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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