Fmoc-D-valine

C₂₀H₂₁NO₄CAS 84624-17-9339.39 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₀H₂₁NO₄
Molar mass: 339.39 g/mol
Exact mass: 339.1471 Da
logP: 3.63Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% 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

84624-17-9

SMILES

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

InChIKey

UGNIYGNGCNXHTR-GOSISDBHSA-N

InChI

InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1

Weigh it out

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

Work with Fmoc-D-valine

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-L-valine68858-20-8Enantiomer

Similar compounds

(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-279 % similar Fmoc-D-allo-ile-oh118904-37-376 % similar Fmoc-D-ile-oh143688-83-976 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-673 % similar Fmoc-chg-oh161321-36-471 % similar Fmoc-D-chg-oh198543-96-371 % similar Fmoc-O-tert-butyl-D-threonine138797-71-471 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-471 % similar

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

Same formula

Fmoc-5-aminopentanoic acid123622-48-0 Fmoc-L-norvaline135112-28-6 (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-6 (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone201856-53-3 Dicentrine517-66-8 Canadine522-97-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook