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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

L-Isoserine632-13-3Defined stereoisomer

Similar compounds

4-Amino-2-hydroxybutanoic acid13477-53-762 % similar (S)-(-)-4-Amino-2-hydroxybutyric acid40371-51-562 % similar (S)-2-Hydroxybutyric acid3347-90-854 % similar L-Alpha,beta-Diaminopropionic acid4033-39-054 % similar 2,3-Diaminopropionic acid515-94-654 % similar Beta-aminoisobutyric acid10569-72-952 % similar 3-Aminoisobutyric acid144-90-152 % similar Malic acid617-48-152 % 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

Elsewhere

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