Fmoc-asp(oall)-oh

C₂₂H₂₁NO₆CAS 146982-24-3395.41 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₂H₂₁NO₆
Molar mass: 395.41 g/mol
Exact mass: 395.1369 Da
logP: 3.10Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

Danger

H200 (Deleted) Unstable Explosive33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% 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

P201, P202, P261, P264, P270, P271, P280, P281, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P372, P373, P380, P401, P403+P233, P405, P501

Identifiers

CAS number

146982-24-3

SMILES

C=CCOC(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

FBNFRRNBFASDKS-IBGZPJMESA-N

InChI

InChI=1S/C22H21NO6/c1-2-11-28-20(24)12-19(21(25)26)23-22(27)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,25,26)/t19-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-asp(oall)-oh

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-D-asp(oall)-oh177609-12-0Enantiomer

Similar compounds

Fmoc-glu(oall)-oh133464-46-782 % similar Fmoc-dap(aloc)-oh188970-92-575 % similar (R)-N-Fmoc-allylglycine170642-28-174 % similar Fmoc-orn(aloc)-oh147290-11-773 % similar Fmoc-lys(aloc)-oh146982-27-672 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-172 % similar Fmoc-L-aspartic acid 4-benzyl ester86060-84-672 % similar (S)-N-Fmoc-2-(3'-butenyl)glycine851909-08-571 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-asp-oall144120-53-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook