chempirical

1-(Adamantane-1-carbonyl)-pyrrolidine-2-carboxylic acid

C16H23NO3CAS 35084-48-1277.36 g/mol

Open in Covalent MOL file
NOOOH
AmideCarboxylic acid

Properties

Molecular formula
C16H23NO3
Molar mass
277.36 g/mol
Exact mass
277.1678 Da
logP
2.28Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
35084-48-1
SMILES
C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)O
InChIKey
RQEOMJWWVKNKPX-UHFFFAOYSA-N
InChI
InChI=1S/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)

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Work with 1-(Adamantane-1-carbonyl)-pyrrolidine-2-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

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

Elsewhere

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