chempirical

1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid

C9H15NO4CAS 88950-64-5201.22 g/mol

Open in Covalent MOL file
OOHNOHO
Carboxylic acid

Properties

Molecular formula
C9H15NO4
Molar mass
201.22 g/mol
Exact mass
201.1001 Da
Melting point
174.4–175.3 °C
logP
1.33Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
88950-64-5
SMILES
CC(C)(C)OC(O)=NC1(C(=O)O)CC1
InChIKey
DSKCOVBHIFAJRI-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)

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Names and synonyms

9 names
  • Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
  • 1-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopropanecarboxylic acid
  • N-tert-Butoxycarbonyl 1-amino-1-cyclopropanecarboxylic acid
  • 1-[N-(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid
  • 1-(tert-Butoxycarbonylamino)cyclopropanecarboxylic acid
  • 1-(Boc-amino)cyclopropanecarboxylic acid
  • Boc-acpc-OH
  • 1-[[(tert-Butoxy)carbonyl]amino]cyclopropane-1-carboxylic acid
  • 1-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

Work with 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic 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-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-688 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid172843-97-982 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-165 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-361 % similar (1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid159622-10-352 % similar 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-350 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-550 % similar 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-749 % 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

Elsewhere

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