5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid

C12H22N2O3 — CID 55053708

IUPAC5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCN(CC1CCC(C(=O)O)O1)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-4-6-13-7-5-9)8-10-2-3-11(17-10)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyAVDXYGBBVIACEW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.30
Rot. Bonds4

About 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid

5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 55053708) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID55053708
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCN(CC1CCC(C(=O)O)O1)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-4-6-13-7-5-9)8-10-2-3-11(17-10)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyAVDXYGBBVIACEW-UHFFFAOYSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl(thiolan-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 62298718
5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 62546964
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
CID 62298720
5-[[4-(dimethylamino)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 62299960
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62300641
5-[[butan-2-yl(ethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298545
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]oxolane-2-carboxylic acid
CID 63223023
5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 62298899
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
(2R,5S)-5-[[ethyl(2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 165455043

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid (CID 55053708) is 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid is CN(CC1CCC(C(=O)O)O1)C1CCNCC1.
What is the InChIKey of 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is AVDXYGBBVIACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(9-4-6-13-7-5-9)8-10-2-3-11(17-10)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 55053708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).