chempirical

3,4-Dehydro-L-proline

C5H7NO2CAS 4043-88-3113.12 g/mol

Open in Covalent MOL file
OHOHN
AlkeneCarboxylic acidSecondary amine

Properties

Molecular formula
C5H7NO2
Molar mass
113.12 g/mol
Exact mass
113.0477 Da
logP
-0.40Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
4043-88-3
SMILES
O=C(O)[C@@H]1C=CCN1
InChIKey
OMGHIGVFLOPEHJ-BYPYZUCNSA-N
InChI
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • (S)-2,5-Dihydro-1H-pyrrole-2-carboxylic
  • (2S)-2,5-Dihydro-1H-pyrrole-2-carboxylic acid
  • (2S)-2,5-Dihydro-1H-pyrrol-1-ium-2-carboxylate
  • 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-, (2S)-
  • 3-Pyrroline-2-carboxylic acid, L-
  • 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-, (S)-
  • L-3,4-Dehydroproline
  • (S)-2,5-Dihydro-1H-pyrrole-2-carboxylic acid

Work with 3,4-Dehydro-L-proline

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

Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-241 % similar 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-039 % similar Azetidine-2-carboxylic acid2133-34-839 % similar (±)-2-Azetidinecarboxylic acid2517-04-639 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-339 % similar 3-Azetidinecarboxylic acid36476-78-537 % similar Proline147-85-336 % similar D-Proline344-25-236 % similar

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

Same formula

Ethyl cyanoacetate105-56-6 N-Methylsuccinimide1121-07-9 Glutarimide1121-89-7 Ethyl isocyanoacetate2999-46-4 Dl-propargylglycine64165-64-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook