Nalpha-fmoc-L-lysine hydrochloride

C₂₁H₂₅ClN₂O₄CAS 139262-23-0404.89 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Primary amine

Properties

Molecular formula: C₂₁H₂₅ClN₂O₄
Molar mass: 404.89 g/mol
Exact mass: 404.1503 Da
logP: 3.53Crippen estimate
Polar surface area: 101.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

139262-23-0

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCN)C(=O)O.Cl

InChIKey

MVMZFAIUUXYFGY-FYZYNONXSA-N

InChI

InChI=1S/C21H24N2O4.ClH/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);1H/t19-;/m0./s1

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Names and synonyms

1 names

(2S)-6-Amino-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid hydrochloride

Work with Nalpha-fmoc-L-lysine hydrochloride

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.

Fmoc-lys-oh105047-45-8Free base Fmoc-D-lys-oh hcl201002-47-3Enantiomer

Similar compounds

Fmoc-lys(me)2-oh hcl252049-10-874 % similar Fmoc-lys(fmoc)-oh78081-87-573 % similar Fmoc-D-nle-oh112883-41-772 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid77284-32-372 % similar Fmoc-homoarg-oh776277-76-069 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyclopentylpropanoic acid371770-32-069 % similar Fmoc-L-norvaline135112-28-669 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-669 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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