chempirical

trans-4-(Maleimidomethyl)cyclohexanecarboxylic acid

C12H15NO4CAS 69907-67-1237.25 g/mol

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NOOOOH
AlkeneAmideCarboxylic acidLactam

Properties

Molecular formula
C12H15NO4
Molar mass
237.25 g/mol
Exact mass
237.1001 Da
logP
0.80Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

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
69907-67-1
SMILES
C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)O
InChIKey
LQILVUYCDHSGEU-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO4/c14-10-5-6-11(15)13(10)7-8-1-3-9(4-2-8)12(16)17/h5-6,8-9H,1-4,7H2,(H,16,17)

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Names and synonyms

1 names
  • 4-(N-Maleimidomethyl)cyclohexane-1-carboxylic Acid

Work with trans-4-(Maleimidomethyl)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

Succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate64987-85-552 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-752 % similar Cyclopropanecarboxylic acid1759-53-152 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid66185-74-850 % similar Tranexamic acid1197-18-849 % similar trans-4-Ethylcyclohexanecarboxylic acid6833-47-249 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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