N-(4-nitrophenyl)pyrrolidine-2-carboxamide
Basic information
- CAS
108321-19-3- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCCN1- InChIKey
JWXPYNYNEUYKOW-UHFFFAOYSA-N- Molecular formula
- C11H13N3O3
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.09569129
Names & identifiers
- Preferred name
- N-(4-nitrophenyl)pyrrolidine-2-carboxamide
- IUPAC
- N-(4-nitrophenyl)pyrrolidine-2-carboxamide
- English name
- H-PRO-PNA TFA
- Molecular formula
- C13H14F3N3O5
- Molecular weight
- 349.27
Names & synonyms
N-(4-nitrophenyl)pyrrolidine-2-carboxamideL-PROLINE p-NITROANILIDESCHEMBL27549576DTXSID90399910AKOS009114710AE-641/10127050Pro-pNAH-L-Pro-pNA TrifluoracetateP-pNAP-pNA TFAH-PRO-PNA TFA108321-19-3/7369-91-7
Show more names
H-PRO-PNA TFA USP/EP/BPH-Pro-pNA·TFA≥ 99% (HPLC)L-Proline P-Nitroanilide TFAL-PROLINE P-NITROANILIDE TRIFLUOROAC
Database identifiers
- CAS
108321-19-3- PubChem CID
- 4147666
- DTXSID
DTXSID90399910
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- Solid
- color
- White to light yellow
- optical activity
- -31.6228 ° · -31.6228°(C=0.4828g/100ml MEOH)
- InChI
- InChI=1/C11H13N3O3.C2HF3O2/c15-11(10-2-1-7-12-10)13-8-3-5-9(6-4-8)14(16)17;3-2(4,5)1(6)7/h3-6,10,12H,1-2,7H2,(H,13,15);(H,6,7)/t10-;/s3
- InChIKey
- KYRVEVYREUUAKH-PPHPATTJSA-N
- SMILES
- C(F)(F)(F)C(=O)O.C([C@H]1NCCC1)(=O)NC1C=CC(N(=O)=O)=CC=1 |&1:8,r|
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesH-L-Pro-pNA Trifluoracetate acts as a chromogenic substrate for prolyl aminopeptidase (proline iminopeptidase).
General DescriptionProline p-nitroanilide (P-pNA) is a colorimetric substrate for prolyl aminopeptidase (proline iminopeptidase), an enzyme that releases proline from the N-terminus of small peptides.
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Compound notes
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