5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C14H28N2O3 — CID 107394776

IUPAC5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CCCN1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-13(19-4)7-5-9-16(11-13)10-6-8-14(2,15-3)12(17)18/h15H,5-11H2,1-4H3,(H,17,18)
InChIKeyXMVDLHPQZAIFBQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.33
Rot. Bonds7

About 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 107394776) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID107394776
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CCCN1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-13(19-4)7-5-9-16(11-13)10-6-8-14(2,15-3)12(17)18/h15H,5-11H2,1-4H3,(H,17,18)
InChIKeyXMVDLHPQZAIFBQ-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741
6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 107394621
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 102966510
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
2-methyl-2-(methylamino)-6-(1,4-oxazepan-4-yl)hexanoic acid
CID 62972427

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 107394776) is 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CCCN1CCCC(C)(OC)C1)C(=O)O.
What is the InChIKey of 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is XMVDLHPQZAIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(19-4)7-5-9-16(11-13)10-6-8-14(2,15-3)12(17)18/h15H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 107394776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).