3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H10N2O5 — CID 174402699

IUPAC3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)C(C(=O)O)N1
InChIInChI=1S/C11H10N2O5/c14-9-5-8(10(12-9)11(15)16)6-2-1-3-7(4-6)13(17)18/h1-4,8,10H,5H2,(H,12,14)(H,15,16)
InChIKeyGPELSXDLDICJHF-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.65
Rot. Bonds3

About 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid

3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 174402699) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID174402699
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)C(C(=O)O)N1
InChIInChI=1S/C11H10N2O5/c14-9-5-8(10(12-9)11(15)16)6-2-1-3-7(4-6)13(17)18/h1-4,8,10H,5H2,(H,12,14)(H,15,16)
InChIKeyGPELSXDLDICJHF-UHFFFAOYSA-N
XLogP0.65
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
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'}

Analyze 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(3R,4S)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972023
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 72810364
3-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83665906
2-(3-nitrophenyl)oxolane-3-carboxylic acid
CID 79368403
(1S,4S,5S,6R)-5-nitro-6-(3-nitrophenyl)bicyclo[2.2.2]octan-2-one
CID 141202191
cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
CID 139349738
(3-nitrophenyl)cycloheptane
CID 142001294
1-benzyl-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 75217590
1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
CID 75985035
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 174402699) is 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C1CC(c2cccc([N+](=O)[O-])c2)C(C(=O)O)N1.
What is the InChIKey of 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GPELSXDLDICJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-9-5-8(10(12-9)11(15)16)6-2-1-3-7(4-6)13(17)18/h1-4,8,10H,5H2,(H,12,14)(H,15,16).
What are the key properties of 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid?
3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174402699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).