oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine

C14H20N2O4 — CID 67821215

IUPACoxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine
SMILESCC1CN(C)[C@H](c2cccnc2)C1C.O=C(O)C(=O)O
InChIInChI=1S/C12H18N2.C2H2O4/c1-9-8-14(3)12(10(9)2)11-5-4-6-13-7-11;3-1(4)2(5)6/h4-7,9-10,12H,8H2,1-3H3;(H,3,4)(H,5,6)/t9?,10?,12-;/m0./s1
InChIKeyIJYLTXFGYGQAOM-BRVYCKMHSA-N
MW280.32 g/mol
LogP1.50
Rot. Bonds1

About oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine

oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine (PubChem CID 67821215) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Nameoxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine
PubChem CID67821215
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameoxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine
SMILESCC1CN(C)[C@H](c2cccnc2)C1C.O=C(O)C(=O)O
InChIInChI=1S/C12H18N2.C2H2O4/c1-9-8-14(3)12(10(9)2)11-5-4-6-13-7-11;3-1(4)2(5)6/h4-7,9-10,12H,8H2,1-3H3;(H,3,4)(H,5,6)/t9?,10?,12-;/m0./s1
InChIKeyIJYLTXFGYGQAOM-BRVYCKMHSA-N
XLogP1.50
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine 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 oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine?
The IUPAC name of oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine (CID 67821215) is oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine?
The canonical SMILES for oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine is CC1CN(C)[C@H](c2cccnc2)C1C.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine?
The InChIKey is IJYLTXFGYGQAOM-BRVYCKMHSA-N. The full InChI is InChI=1S/C12H18N2.C2H2O4/c1-9-8-14(3)12(10(9)2)11-5-4-6-13-7-11;3-1(4)2(5)6/h4-7,9-10,12H,8H2,1-3H3;(H,3,4)(H,5,6)/t9?,10?,12-;/m0./s1.
What are the key properties of oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine?
oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine has a molecular weight of 280.32 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 67821215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).