(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

C11H13N3O4 — CID 93044428

IUPAC(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C11H13N3O4/c15-9-5-10(12-6-9)11(16)13-7-1-3-8(4-2-7)14(17)18/h1-4,9-10,12,15H,5-6H2,(H,13,16)/t9-,10-/m1/s1
InChIKeyIZEBIZBBOZJDHO-NXEZZACHSA-N
MW251.24 g/mol
LogP0.26
Rot. Bonds3

About (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 93044428) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID93044428
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C11H13N3O4/c15-9-5-10(12-6-9)11(16)13-7-1-3-8(4-2-7)14(17)18/h1-4,9-10,12,15H,5-6H2,(H,13,16)/t9-,10-/m1/s1
InChIKeyIZEBIZBBOZJDHO-NXEZZACHSA-N
XLogP0.26
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
CID 143474550
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
4-hydroxy-N-[4-(4-nitrophenyl)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119778305
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
(3S)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 164829714
4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
CID 61250261
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119698538
4-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 119871848

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide (CID 93044428) is (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is IZEBIZBBOZJDHO-NXEZZACHSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9-5-10(12-6-9)11(16)13-7-1-3-8(4-2-7)14(17)18/h1-4,9-10,12,15H,5-6H2,(H,13,16)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 93044428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).