2-Methyl-D-serine

C₄H₉NO₃CAS 81132-44-7119.12 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₉NO₃
Molar mass: 119.12 g/mol
Exact mass: 119.0582 Da
logP: -1.22Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Stereocentres: 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

81132-44-7

SMILES

C[C@@](CO)(C(=O)O)N

InChIKey

CDUUKBXTEOFITR-SCSAIBSYSA-N

InChI

InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m1/s1

Weigh it out

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

Work with 2-Methyl-D-serine

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.

2-Methyl-L-serine16820-18-1Enantiomer 2-Methylserine5424-29-3Stereo not defined

Similar compounds

D-Isovaline3059-97-064 % similar DL-Isovaline465-58-764 % similar Isovaline595-39-164 % similar Isovaline595-40-464 % similar (R)-2-Methylcysteine hydrochloride148766-37-456 % similar (S)-2-Methylcysteine hydrochloride151062-55-456 % similar (2R)-2-Amino-2-methyl-4-pentenoic acid96886-56-556 % similar Dimethylolpropionic acid4767-03-754 % similar

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

Same formula

(R)-3-Amino-2-(hydroxymethyl)propanoic acid1217700-75-8 4-Amino-2-hydroxybutanoic acid13477-53-7 Allothreonine144-98-9 Homoserine1927-25-9 Dl-O-methylserine19794-53-7 D-Allothreonine24830-94-2 L-Allothreonine28954-12-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook