4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide

C11H13N3O4 — CID 4844978

IUPAC4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c12-11(16)10-5-9(15)6-13(10)7-1-3-8(4-2-7)14(17)18/h1-4,9-10,15H,5-6H2,(H2,12,16)
InChIKeyLJIUVQXRTJGBRT-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.02
Rot. Bonds3

About 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide

4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 4844978) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID4844978
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c12-11(16)10-5-9(15)6-13(10)7-1-3-8(4-2-7)14(17)18/h1-4,9-10,15H,5-6H2,(H2,12,16)
InChIKeyLJIUVQXRTJGBRT-UHFFFAOYSA-N
XLogP0.02
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
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-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 43461643
methyl 1-(4-nitrophenyl)aziridine-2-carboxylate
CID 11368029
(4-nitrophenyl)methyl (2S,4R)-2-carbamimidoyl-4-hydroxypyrrolidine-1-carboxylate
CID 57215200
(2S,4S)-4-hydroxy-1-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714247
carbamoyl 1-(4-nitrophenyl)pyrrolidine-2-carboxylate
CID 91262224
(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
CID 94375145
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
2-O-methyl 1-O-[(4-nitrophenyl)methyl] (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57024778
1-O-tert-butyl 2-O-[2-(4-nitrophenyl)-2-oxoethyl] (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 6581811
(4-nitrophenyl)methyl (2S,4S)-2-carbamoyl-4-sulfanylpyrrolidine-1-carboxylate
CID 13324681
4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide
CID 4835584

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide (CID 4844978) is 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is LJIUVQXRTJGBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-11(16)10-5-9(15)6-13(10)7-1-3-8(4-2-7)14(17)18/h1-4,9-10,15H,5-6H2,(H2,12,16).
What are the key properties of 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).