N(Alpha)-ethoxycarbonyl-L-asparagine

C₇H₁₂N₂O₅CAS 16639-91-1204.18 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₇H₁₂N₂O₅
Molar mass: 204.18 g/mol
Exact mass: 204.0746 Da
logP: -0.94Crippen estimate
Polar surface area: 118.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

16639-91-1

SMILES

CCOC(=O)N[C@@H](CC(=O)N)C(=O)O

InChIKey

YORYXPTWPIKBDE-BYPYZUCNSA-N

InChI

InChI=1S/C7H12N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h4H,2-3H2,1H3,(H2,8,10)(H,9,13)(H,11,12)/t4-/m0/s1

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

Work with N(Alpha)-ethoxycarbonyl-L-asparagine

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

Z-Dl-asparagine29880-22-661 % similar Fmoc-D-asn-OH108321-39-757 % similar Glycyl-D-asparagine24667-21-852 % similar 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid137401-45-748 % similar Z-D-Gln-oh13139-52-146 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-046 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-644 % similar (2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-243 % similar

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

Same formula

Glycyl-L-glutamic acid7412-78-4

Elsewhere

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