DL-Valine

C5H11NO2CAS 516-06-3117.15 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C5H11NO2
Molar mass
117.15 g/mol
Exact mass
117.0790 Da
Melting point
298 °C (decomposes)
logP
0.05Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 117 ECHA notifiers. Aggregated from 117 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
516-06-3
SMILES
CC(C)C(N)C(=O)O
InChIKey
KZSNJWFQEVHDMF-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)

Weigh it out

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

Names and synonyms

8 names
  • Valine
  • Valine, DL-
  • DL-α-Aminoisovaleric acid
  • (±)-Valine
  • DL-Val
  • (RS)-Valine
  • NSC 9755
  • (±)-2-Amino-3-methylbutyric acid

Reactions

Work with DL-Valine

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.

Valine72-18-4Defined stereoisomer D-Valine640-68-6Defined stereoisomer

Similar compounds

(2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-772 % similar (2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid87421-23-672 % similar Allothreonine144-98-962 % similar D-Allothreonine24830-94-262 % similar L-Allothreonine28954-12-362 % similar D-Threonine632-20-262 % similar (S)-Threonine72-19-562 % similar (±)-Threonine80-68-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Trimethylglycine107-43-7 Isoamyl nitrite110-46-3 (3S,4S)-3-Aminotetrahydro-2H-pyran-4-ol1240390-32-2 (R)-2-Hydroxymethylmorpholine156925-22-3 N,N-Dimethyl-1,3-dioxolan-2-amine19449-26-4 D-Norvaline2013-12-9 trans-4-Aminotetrahydropyran-3-ol215940-92-4 Alpha-(Methylamino)isobutyric acid2566-34-9

Elsewhere

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