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

C15H30N2O2 — CID 106805593

IUPAC5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1CC(C)CC(C)C1)(NC)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-15(16-4,14(18)19)7-6-8-17-10-12(2)9-13(3)11-17/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeySRWOHQAMJDDCSS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.20
Rot. Bonds7

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

5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106805593) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106805593
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1CC(C)CC(C)C1)(NC)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-15(16-4,14(18)19)7-6-8-17-10-12(2)9-13(3)11-17/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeySRWOHQAMJDDCSS-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 106806513
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
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-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
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
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809028
2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
CID 106806593
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid (CID 106805593) is 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid is CCC(CCCN1CC(C)CC(C)C1)(NC)C(=O)O.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is SRWOHQAMJDDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-15(16-4,14(18)19)7-6-8-17-10-12(2)9-13(3)11-17/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106805593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).