chempirical

3-Aminotetrahydrofuran-3-carboxylic acid

C5H9NO3CAS 125218-55-5131.13 g/mol

Open in Covalent MOL file
OOHOH2N
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C5H9NO3
Molar mass
131.13 g/mol
Exact mass
131.0582 Da
logP
-0.81Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
125218-55-5
SMILES
C1COCC1(C(=O)O)N
InChIKey
ATUWXXVBEAYCSQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO3/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)

Weigh it out

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Work with 3-Aminotetrahydrofuran-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

1-Aminocyclopropane-1-carboxylic acid22059-21-859 % similar 1-Aminocyclobutanecarboxylic acid22264-50-255 % similar Cycloleucine52-52-855 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-555 % similar 1-Aminocyclohexanecarboxylic acid2756-85-653 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-050 % similar 4-Fluorotetrahydro-2H-pyran-4-carboxylic acid1150617-62-145 % similar Acpd39026-63-642 % similar

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

Same formula

5-Aminolevulinic acid106-60-5 (S)-Morpholine-3-carboxylic acid106825-79-0 N-Acetylalanine1115-69-1 N-Acetyl-D-alanine19436-52-3 cis-4-Hydroxy-D-proline2584-71-6 Acetyl-β-alanine3025-95-4 Ethyl N-formylglycinate3154-51-6 trans-3-Hydroxy-L-proline4298-08-2

Elsewhere

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