2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

C12H15N3O4 — CID 83076066

IUPAC2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H15N3O4/c1-2-12(11(16)17)6-3-7-14(12)10-5-4-9(8-13-10)15(18)19/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyBYOBSDGKKIFXEU-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.82
Rot. Bonds4

About 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 83076066) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID83076066
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H15N3O4/c1-2-12(11(16)17)6-3-7-14(12)10-5-4-9(8-13-10)15(18)19/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyBYOBSDGKKIFXEU-UHFFFAOYSA-N
XLogP1.82
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
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

2-ethyl-1-(3-methyl-5-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 115981142
2-ethyl-1-(3-fluoro-5-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 83071015
1-(5-bromo-3-nitro-2-pyridinyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075739
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 83070640
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
2-ethyl-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075644
1-(2-chloro-4-nitrophenyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977719
2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 83070789
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
2-ethyl-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075571
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 83076066) is 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BYOBSDGKKIFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-12(11(16)17)6-3-7-14(12)10-5-4-9(8-13-10)15(18)19/h4-5,8H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83076066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).