chempirical

3-Aminooxetane-3-carboxylic acid

C4H7NO3CAS 138650-24-5117.10 g/mol

Open in Covalent MOL file
OOOHNH2
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C4H7NO3
Molar mass
117.10 g/mol
Exact mass
117.0426 Da
logP
-1.20Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
138650-24-5
SMILES
C1C(CO1)(C(=O)O)N
InChIKey
LXRNYRAHXDUNKR-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO3/c5-4(3(6)7)1-8-2-4/h1-2,5H2,(H,6,7)

Weigh it out

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Work with 3-Aminooxetane-3-carboxylic 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

3-Aminotetrahydrofuran-3-carboxylic acid125218-55-570 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-463 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-863 % similar 1-Amino-cyclobutanecarboxylic acid22264-16-058 % similar 1-Aminocyclobutanecarboxylic acid22264-50-258 % similar Cycloleucine52-52-858 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-558 % similar 1-Aminocyclohexanecarboxylic acid2756-85-656 % similar

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

Same formula

N-Formylalanine10512-86-4 Aceturic acid543-24-8 Ethyl oxamate617-36-7 Succinamic acid638-32-4

Elsewhere

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