(2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid

C₆H₁₃NO₃CAS 87421-23-6147.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₃NO₃
Molar mass: 147.17 g/mol
Exact mass: 147.0895 Da
logP: -0.58Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: S, Rin 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

87421-23-6

SMILES

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

InChIKey

ZAYJDMWJYCTABM-UHNVWZDZSA-N

InChI

InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1

Weigh it out

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

Names and synonyms

1 names

(2R,3S)-2-Amino-3-hydroxy-4-methylpentanoic acid

Work with (2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid

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.

(2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-7Enantiomer

Similar compounds

DL-Valine516-06-372 % similar D-Valine640-68-672 % similar Valine72-18-472 % similar Allothreonine144-98-961 % similar D-Allothreonine24830-94-261 % similar L-Allothreonine28954-12-361 % similar D-Threonine632-20-261 % similar (S)-Threonine72-19-561 % similar

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

Same formula

4-Hydroxyisoleucine21704-86-9 (2S,3R,4S)-4-Hydroxyisoleucine55399-93-4 4-Hydroxy-L-isoleucine781658-23-9

Elsewhere

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