(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H10N2O5 — CID 7144527

IUPAC(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C11H10N2O5/c14-10-5-7(11(15)16)6-12(10)8-1-3-9(4-2-8)13(17)18/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1
InChIKeyJVYAJIFDTIREQQ-SSDOTTSWSA-N
MW250.21 g/mol
LogP1.03
Rot. Bonds3

About (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 7144527) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID7144527
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C11H10N2O5/c14-10-5-7(11(15)16)6-12(10)8-1-3-9(4-2-8)13(17)18/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1
InChIKeyJVYAJIFDTIREQQ-SSDOTTSWSA-N
XLogP1.03
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
4-[[(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9005264
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056074
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854
1-(3-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691184
1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691750
1-(3-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691717
1-(2-carboxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691696
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(3-nitro-4-pyrrolidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 25470839
(3S)-1-[4-[(3-nitrophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323493
(4-nitrophenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2872535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 7144527) is (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JVYAJIFDTIREQQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-10-5-7(11(15)16)6-12(10)8-1-3-9(4-2-8)13(17)18/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7144527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).