N-Methyl-β-alanine

C₄H₉NO₂CAS 2679-14-3103.12 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₄H₉NO₂
Molar mass: 103.12 g/mol
Exact mass: 103.0633 Da
Boiling point: 65 °C (at 15 Torr)
logP: -0.32Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

2679-14-3

SMILES

CNCCC(=O)O

InChIKey

VDIPNVCWMXZNFY-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)

Weigh it out

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

Names and synonyms

4 names

β-Alanine, N-methyl-
N-Methyl-β-aminopropionic acid
3-(Methylamino)propionic acid
3-(Methylamino)propanoic acid

Work with N-Methyl-β-alanine

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

Sarcosine107-97-158 % similar Succinic acid110-15-652 % similar N-Methylglycine hydrochloride637-96-752 % similar Piperazine adipate142-88-150 % similar Butyric acid107-92-648 % similar Glutaric acid110-94-148 % similar Guanidinopropionic acid353-09-347 % similar Pimelic acid111-16-046 % similar

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

Same formula

Ethyl N-methylcarbamate105-40-8 β-Aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

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