Isoserine

C₃H₇NO₃CAS 565-71-9105.09 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₃H₇NO₃
Molar mass: 105.09 g/mol
Exact mass: 105.0426 Da
Melting point: 245 °C
logP: -1.61Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

565-71-9

SMILES

NCC(O)C(=O)O

InChIKey

BMYNFMYTOJXKLE-UHFFFAOYSA-N

InChI

InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)

Weigh it out

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

Names and synonyms

7 names

Propanoic acid, 3-amino-2-hydroxy-
3-Amino-2-hydroxypropanoic acid
3-Aminolactic acid
2-Hydroxy-β-alanine
3-Amino-2-hydroxypropionic acid
DL-Isoserine
(±)-Isoserine

Work with Isoserine

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

4-Amino-2-hydroxybutanoic acid13477-53-762 % similar (S)-2-Hydroxybutyric acid3347-90-854 % similar 2,3-Diaminopropionic acid4033-39-054 % similar 2,3-Diaminopropionic acid515-94-654 % similar β-Aminoisobutyric acid10569-72-952 % similar 3-Aminoisobutyric acid144-90-152 % similar Malic acid617-48-152 % similar D-Malic acid636-61-352 % similar

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

Same formula

Isopropyl nitrate1712-64-7 Dl-serine302-84-1 D-Serine312-84-5 Serine56-45-1 Hydroxyurethane589-41-3 Propyl nitrate627-13-4 L-Isoserine632-13-3

Elsewhere

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