1-(2,4-Dinitrophenyl)-L-proline

C11H11N3O6CAS 1655-55-6281.22 g/mol

Open in Covalent MOL file
OOHNN+OO−N+OO−
Carboxylic acidNitroTertiary amine

Properties

Molecular formula
C11H11N3O6
Molar mass
281.22 g/mol
Exact mass
281.0648 Da
logP
1.56Crippen estimate
Polar surface area
126.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Danger
Flammable (GHS02)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P280, P370+P378

Identifiers

CAS number
1655-55-6
SMILES
O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
MVZXUWLTGGBNHL-VIFPVBQESA-N
InChI
InChI=1S/C11H11N3O6/c15-11(16)9-2-1-5-12(9)8-4-3-7(13(17)18)6-10(8)14(19)20/h3-4,6,9H,1-2,5H2,(H,15,16)/t9-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Proline, 1-(2,4-dinitrophenyl)-
  • Proline, 1-(2,4-dinitrophenyl)-, L-
  • 2,4-Dinitrophenyl-L-proline
  • N-(2,4-Dinitrophenyl)-L-proline
  • N-(2,4-Dinitrophenyl)-(S)-proline
  • DNP-L-proline
  • L-DNP-Proline
  • NSC 89618
  • (2S)-1-(2,4-Dinitrophenyl)pyrrolidine-2-carboxylic acid

Work with 1-(2,4-Dinitrophenyl)-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

N-(2,4-Dinitrophenyl)-L-serine1655-64-748 % similar 2,4-Dinitrophenyl-L-alanine1655-52-347 % similar N-(2,4-Dinitrophenyl)-L-valine1694-97-946 % similar 2,4-Dinitrophenylacetic acid643-43-644 % similar 2,4-Dinitrobenzoic acid610-30-044 % similar 1-Phenylpiperidine-2-carboxylic acid743422-75-544 % similar 4-Nitro-DL-phenylalanine2922-40-944 % similar p-Nitro-D-phenylalanine56613-61-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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