N(Alpha)-ethoxycarbonyl-L-asparagine

C7H12N2O5CAS 16639-91-1204.18 g/mol

Open in Covalent MOL file
OONHONH2OHO
AmideCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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

Boc-D-asparagine75647-01-766 % similar Z-Dl-asparagine29880-22-661 % similar Fmoc-D-asn-OH108321-39-757 % similar Glycyl-D-asparagine24667-21-852 % similar Boc-D-glutamine61348-28-551 % similar 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid137401-45-748 % similar Boc-D-abu-oh45121-22-047 % similar Z-D-Gln-oh13139-52-146 % 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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