chempirical

(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid

C8H11NO2CAS 26774-88-9153.18 g/mol

Open in Covalent MOL file
H2NOHO
AlkeneCarboxylic acidPrimary amine

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
logP
0.67Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
26774-88-9
SMILES
N[C@@H](C(=O)O)C1=CCC=CC1
InChIKey
JBJJTCGQCRGNOL-SSDOTTSWSA-N
InChI
InChI=1S/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1,4-Cyclohexadiene-1-acetic acid, α-amino-, (αR)-
  • 1,4-Cyclohexadiene-1-acetic acid, α-amino-, D-(-)-
  • 1,4-Cyclohexadiene-1-acetic acid, α-amino-, (R)-
  • D-2-(1,4-Cyclohexadienyl)glycine
  • D-α-Amino-1,4-cyclohexadiene-1-acetic acid
  • D-1,4-Cyclohexadienylglycine
  • D-2,5-Dihydrophenylglycine
  • (R)-(-)-2-(2,5-DihydrophenyL)glycine
  • (2R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetic acid
  • (2R)-2-Azaniumyl-2-cyclohexa-1,4-dien-1-ylacetate

Work with (αR)-α-Amino-1,4-cyclohexadiene-1-acetic 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

Cephradine38821-53-338 % similar Cefroxadine51762-05-136 % similar Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-235 % similar 3-Cyclopentene-1-carboxylic acid7686-77-335 % similar L-Cyclopropylalanine102735-53-535 % similar D-Cyclopropylalanine121786-39-835 % similar D-Leucine328-38-134 % similar Leucine61-90-534 % similar

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

Same formula

2,5-Dimethoxyaniline102-56-7 3,5-Dimethoxyaniline10272-07-8 Octopamine104-14-3 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 2,4-Dimethoxyaniline2735-04-8 Ethyl 5-methylpyrrole-2-carboxylate3284-51-3 Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-6 Dopamine51-61-6

Elsewhere

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