H-Val-ala-oh

C₈H₁₆N₂O₃CAS 27493-61-4188.23 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₁₆N₂O₃
Molar mass: 188.23 g/mol
Exact mass: 188.1161 Da
logP: -0.44Crippen estimate
Polar surface area: 92.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: S, Sin SMILES atom order

Hazards

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

Identifiers

CAS number

27493-61-4

SMILES

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

InChIKey

HSRXSKHRSXRCFC-WDSKDSINSA-N

InChI

InChI=1S/C8H16N2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Val-ala

Work with H-Val-ala-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

Similar compounds

DL-Valine516-06-358 % similar D-Valine640-68-658 % similar Valine72-18-458 % similar (2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-749 % similar (2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid87421-23-649 % similar Valyltryptophan24587-37-944 % similar (2R)-2-(Methylamino)propanoic acid29475-64-744 % similar N-Methyl-L-alanine3913-67-544 % similar

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

Same formula

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-5 Glycyl-dl-norleucine1504-41-2 Glycyl-L-isoleucine19461-38-2 N-Acetyl-L-lysine1946-82-3 L-Asparagine tert-butyl ester25456-86-4 Leucylglycine615-82-7 L-Leucylglycine686-50-0 Glycyl-D-leucine688-13-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook