2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid

C16H32N2O2 — CID 106806196

IUPAC2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
SMILESCCC1(C)CCN(CCCC(CC)(NC)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-5-15(3)9-12-18(13-10-15)11-7-8-16(6-2,17-4)14(19)20/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyIMHKAOYHYIVLRW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds8

About 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid

2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid (PubChem CID 106806196) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
PubChem CID106806196
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
SMILESCCC1(C)CCN(CCCC(CC)(NC)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-5-15(3)9-12-18(13-10-15)11-7-8-16(6-2,17-4)14(19)20/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyIMHKAOYHYIVLRW-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
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
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806409
2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 79804077
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
CID 63158997

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid (CID 106806196) is 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid is CCC1(C)CCN(CCCC(CC)(NC)C(=O)O)CC1.
What is the InChIKey of 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid?
The InChIKey is IMHKAOYHYIVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-15(3)9-12-18(13-10-15)11-7-8-16(6-2,17-4)14(19)20/h17H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid?
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).