chempirical

1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid

C12H21NO4CAS 115951-16-1243.30 g/mol

Open in Covalent MOL file
OOHNOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C12H21NO4
Molar mass
243.30 g/mol
Exact mass
243.1471 Da
logP
2.30Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
115951-16-1
SMILES
CC(C)(C)OC(=O)NC1(CCCCC1)C(=O)O
InChIKey
URBHKVWOYIMKNO-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)

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Names and synonyms

1 names
  • 1-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid

Work with 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic 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

N-Boc-1-aminocyclobutanecarboxylic acid120728-10-191 % similar tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-250 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-647 % similar Fmoc-cycloleucine117322-30-246 % similar Boc-11-aminoundecanoic acid10436-25-644 % similar 1-Methylcyclohexanecarboxylic acid1123-25-743 % similar 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-542 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-541 % similar

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

Same formula

1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-2 Boc-L-cyclopentylglycine109183-72-4 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-1 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-2 Rel-(1R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid222530-33-8 trans-4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid53292-89-0 cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid53292-90-3

Elsewhere

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