5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid

C13H24N2O3 — CID 62546964

IUPAC5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCN1CCCC(N(C)CC2CCC(C(=O)O)O2)C1
InChIInChI=1S/C13H24N2O3/c1-14-7-3-4-10(8-14)15(2)9-11-5-6-12(18-11)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyAHJLJJYLWXGICY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.64
Rot. Bonds4

About 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid

5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 62546964) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID62546964
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCN1CCCC(N(C)CC2CCC(C(=O)O)O2)C1
InChIInChI=1S/C13H24N2O3/c1-14-7-3-4-10(8-14)15(2)9-11-5-6-12(18-11)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyAHJLJJYLWXGICY-UHFFFAOYSA-N
XLogP0.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 55053708
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221459
5-[[methyl(thiolan-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 62298718
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
5-[[4-(dimethylamino)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 62299960
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
CID 62545950
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 107227845
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032128

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid (CID 62546964) is 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid is CN1CCCC(N(C)CC2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is AHJLJJYLWXGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14-7-3-4-10(8-14)15(2)9-11-5-6-12(18-11)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62546964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).