2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid

C16H32N2O2 — CID 106806513

IUPAC2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
SMILESCCC(CCCN1CC(C)CC(C)C1C)(NC)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-16(17-5,15(19)20)8-7-9-18-11-12(2)10-13(3)14(18)4/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeySGSZHIBBBWQXRP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds7

About 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid

2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid (PubChem CID 106806513) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
PubChem CID106806513
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
SMILESCCC(CCCN1CC(C)CC(C)C1C)(NC)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-16(17-5,15(19)20)8-7-9-18-11-12(2)10-13(3)14(18)4/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeySGSZHIBBBWQXRP-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
CID 106806024
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806133
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106805828
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid (CID 106806513) is 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid is CCC(CCCN1CC(C)CC(C)C1C)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The InChIKey is SGSZHIBBBWQXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-16(17-5,15(19)20)8-7-9-18-11-12(2)10-13(3)14(18)4/h12-14,17H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 106806513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).