1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid

C13H24N2O2 — CID 116958981

IUPAC1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(C1CCN(C)CC1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H24N2O2/c1-14-11(10-4-8-15(2)9-5-10)13(12(16)17)6-3-7-13/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPOMKUYZDWAPXDJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.17
Rot. Bonds4

About 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid

1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116958981) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116958981
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(C1CCN(C)CC1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H24N2O2/c1-14-11(10-4-8-15(2)9-5-10)13(12(16)17)6-3-7-13/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPOMKUYZDWAPXDJ-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958209
1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116958211
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
[1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclopropyl]methanol
CID 116958357
1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944135
2,3-bis(methylamino)-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116961141
1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116912640
(E)-4-(methylamino)-4-(1-methylpiperidin-4-yl)but-2-enoic acid
CID 116956395
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519
1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874997
methylamino-(1-methylpiperidin-4-yl)methanethiol
CID 116954601

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid (CID 116958981) is 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid is CNC(C1CCN(C)CC1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is POMKUYZDWAPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-11(10-4-8-15(2)9-5-10)13(12(16)17)6-3-7-13/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116958981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).