chempirical

Fmoc-L-aspartic acid

C19H17NO6CAS 119062-05-4355.35 g/mol

Open in Covalent MOL file
OONHOHOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C19H17NO6
Molar mass
355.35 g/mol
Exact mass
355.1056 Da
logP
2.45Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
119062-05-4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C(=O)O
InChIKey
KSDTXRUIZMTBNV-INIZCTEOSA-N
InChI
InChI=1S/C19H17NO6/c21-17(22)9-16(18(23)24)20-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m0/s1

Weigh it out

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

Work with Fmoc-L-aspartic 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

Fmoc-L-glutamic acid121343-82-679 % similar Fmoc-D-asn-OH108321-39-777 % similar Fmoc-D-ser-oh116861-26-874 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-972 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-171 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-270 % similar Fmoc-L-homophenylalanine132684-59-470 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-370 % similar

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

Same formula

Fmoc-D-asp-oh136083-57-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook