4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid

C15H20N2O4 — CID 120541563

IUPAC4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESCc1ccc(CC(=O)NCC2(C(=O)O)CCOCC2)cn1
InChIInChI=1S/C15H20N2O4/c1-11-2-3-12(9-16-11)8-13(18)17-10-15(14(19)20)4-6-21-7-5-15/h2-3,9H,4-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyAVNHWMUPZHFFRG-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.93
Rot. Bonds5

About 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120541563) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120541563
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESCc1ccc(CC(=O)NCC2(C(=O)O)CCOCC2)cn1
InChIInChI=1S/C15H20N2O4/c1-11-2-3-12(9-16-11)8-13(18)17-10-15(14(19)20)4-6-21-7-5-15/h2-3,9H,4-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyAVNHWMUPZHFFRG-UHFFFAOYSA-N
XLogP0.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-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

4-[[[2-(5-methylthiophen-2-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542368
4-[[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543391
4-[[(2-thiophen-3-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 113309985
4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 120543383
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542026
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541823
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid (CID 120541563) is 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid is Cc1ccc(CC(=O)NCC2(C(=O)O)CCOCC2)cn1.
What is the InChIKey of 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is AVNHWMUPZHFFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-2-3-12(9-16-11)8-13(18)17-10-15(14(19)20)4-6-21-7-5-15/h2-3,9H,4-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120541563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).