Glycyl-dl-threonine

C₆H₁₂N₂O₄CAS 27174-15-8176.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₂N₂O₄
Molar mass: 176.17 g/mol
Exact mass: 176.0797 Da
logP: -1.26Crippen estimate
Polar surface area: 116.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

27174-15-8

SMILES

C[C@H](O)[C@@H](N=C(O)CN)C(=O)O

InChIKey

OLIFSFOFKGKIRH-CNPWTDTENA-N

InChI

InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/s2

Weigh it out

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

Names and synonyms

4 names

Threonine, glycyl-
Threonine, N-glycyl-, DL-
DL-Threonine, N-glycyl-
Glycylthreonine

Work with Glycyl-dl-threonine

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

Glycyl-L-valine1963-21-971 % similar Glycyl-dl-valine2325-17-971 % similar Glycyl-L-isoleucine19461-38-264 % similar Glycyl-L-alanine3695-73-661 % similar Glycylalanine926-77-261 % similar Glycylleucine688-14-255 % similar Glycyl-L-leucine869-19-255 % similar Glycylserine687-38-751 % similar

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

Same formula

N,N'-Dimethoxy-N,N'-dimethyloxamide106675-70-1 N1,N2-Bis(2-hydroxyethyl)ethanediamide1871-89-2 Dmdnb3964-18-9 1,2-Diethyl 1,2-hydrazinedicarboxylate4114-28-7 Ethylenediaminediacetic acid5657-17-0 Gly-thr7093-70-1

Elsewhere

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