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

C₁₁H₁₁N₃O₆CAS 1655-55-6281.22 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Nitro Tertiary 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 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

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

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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

Elsewhere

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