3-(tert-Butoxy)propionic acid

C₇H₁₄O₃CAS 21150-73-2146.19 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₇H₁₄O₃
Molar mass: 146.19 g/mol
Exact mass: 146.0943 Da
logP: 1.28Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

21150-73-2

SMILES

CC(C)(C)OCCC(=O)O

InChIKey

KXZYUJNAHMNZBA-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)

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

Names and synonyms

1 names

3-tert-Butoxypropionic acid

Work with 3-(tert-Butoxy)propionic 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

Similar compounds

tert-Butoxy acetic acid13211-32-063 % similar T-Boc-N-amido-peg1-acid1260092-44-150 % similar Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-649 % similar 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate756525-91-449 % similar Boc-β-alanine3303-84-249 % similar Glutaric acid110-94-148 % similar Mono-tert-butyl malonate40052-13-947 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-745 % similar

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

Same formula

Glycidaldehyde diethyl acetal13269-77-7 N-Butyl lactate138-22-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 Butyl (2S)-2-hydroxypropanoate34451-19-9 3-Methoxybutyl acetate4435-53-4

Elsewhere

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