Fmoc-D-asn-OH

C19H18N2O5CAS 108321-39-7354.36 g/mol

Open in Covalent MOL file
OONHOH2NOHO
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C19H18N2O5
Molar mass
354.36 g/mol
Exact mass
354.1216 Da
logP
1.85Crippen estimate
Polar surface area
118.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
108321-39-7
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)N)C(=O)O
InChIKey
YUGBZNJSGOBFOV-MRXNPFEDSA-N
InChI
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(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,(H2,20,22)(H,21,25)(H,23,24)/t16-/m1/s1

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Names and synonyms

1 names
  • Fmoc-D-asparagine

Work with Fmoc-D-asn-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-L-asparagine71989-16-7Enantiomer

Similar compounds

Fmoc-L-aspartic acid119062-05-477 % similar Fmoc-D-asp-oh136083-57-377 % similar Fmoc-D-ser-oh116861-26-873 % similar Fmoc-L-serine73724-45-573 % similar Fmoc-D-propargylglycine220497-98-372 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-571 % similar Fmoc-D-abu-oh170642-27-071 % similar Fmoc-dap(fmoc)-oh201473-90-771 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-gly-gly-oh35665-38-4 cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid51591-75-4 2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid59564-78-2

Elsewhere

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