chempirical

1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal

C9H15NO4CAS 54621-18-0201.22 g/mol

Open in Covalent MOL file
OHOH2NOO
AcetalCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C9H15NO4
Molar mass
201.22 g/mol
Exact mass
201.1001 Da
logP
0.09Crippen estimate
Polar surface area
81.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54621-18-0
SMILES
C1CC2(CCC1(C(=O)O)N)OCCO2
InChIKey
HIIFALCQUKTUHB-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6,10H2,(H,11,12)

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Work with 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal

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 acid22059-21-869 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-564 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-463 % similar 1-Amino-cyclobutanecarboxylic acid22264-16-059 % similar 1-Aminocyclobutanecarboxylic acid22264-50-259 % similar Cycloleucine52-52-859 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-058 % similar 1-Aminocyclohexanecarboxylic acid2756-85-657 % similar

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

Same formula

1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-6 1-Boc-Azetidine-3-carboxylic acid142253-55-2 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-7 Boc-D-azetidine-2-carboxylic acid228857-58-7 1-Boc-L-azetidine-2-carboxylic acid51077-14-6 2-tert-Butoxycarbonylamino-acrylic acid methyl ester55477-80-0 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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