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

CAT: 0127-OR1078649-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1078649-01Size:100 mg
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CAS Number
1655-55-6
Synonyms
Dnp-Pro-OH / N-Dnp-L-proline
MDL Number
MFCD00037319
Purity
>98.0%
Smiles
C1CC (N (C1) C2=C (C=C (C=C2) [N+] (=O) [O-]) [N+] (=O) [O-]) C (=O) O

Chemical Information

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

N-(2,4-dinitrophenyl)-L-proline is the L-stereoisomer of N-(2,4-dinitrophenyl)proline, a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a C-nitro compound, a member of pyrrolidines, a non-proteinogenic L-alpha-amino acid and a L-proline derivative.

CAS Number1655-55-6
PubChem CID96807
IUPAC Name(2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
Molecular FormulaC11H11N3O6
Molecular Weight281.22
XLogP1.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity417
SMILES
C1C[C@H](N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
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
InChIKey
MVZXUWLTGGBNHL-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-dinitrophenyl)-L-proline
CAS: 1655-55-6
CID: 96807
Formula: C11H11N3O6
MW: 281.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.22
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass281.06478508
Monoisotopic Mass281.06478508
Topological Polar Surface Area132 Ų
Heavy Atom Count20
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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