1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid

C12H15N3O5 — CID 175204342

IUPAC1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C12H15N3O5/c16-11-9(15(19)20)3-1-6-14(11)8-7-13-5-2-4-10(13)12(17)18/h1,3,6,10H,2,4-5,7-8H2,(H,17,18)
InChIKeyZGYXOOUYPCVJNC-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.31
Rot. Bonds5

About 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid

1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 175204342) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID175204342
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C12H15N3O5/c16-11-9(15(19)20)3-1-6-14(11)8-7-13-5-2-4-10(13)12(17)18/h1,3,6,10H,2,4-5,7-8H2,(H,17,18)
InChIKeyZGYXOOUYPCVJNC-UHFFFAOYSA-N
XLogP0.31
TPSA105.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid (CID 175204342) is 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZGYXOOUYPCVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-11-9(15(19)20)3-1-6-14(11)8-7-13-5-2-4-10(13)12(17)18/h1,3,6,10H,2,4-5,7-8H2,(H,17,18).
What are the key properties of 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid?
1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175204342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).