2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid

C16H32N2O3 — CID 107394741

IUPAC2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
SMILESCCNC(CC)(CCCN1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-5-16(14(19)20,17-6-2)10-8-12-18-11-7-9-15(3,13-18)21-4/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyZTFZDURGOHPUFM-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.11
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid

2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid (PubChem CID 107394741) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
PubChem CID107394741
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
SMILESCCNC(CC)(CCCN1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-5-16(14(19)20,17-6-2)10-8-12-18-11-7-9-15(3,13-18)21-4/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyZTFZDURGOHPUFM-UHFFFAOYSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806409
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557
2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
CID 106805841
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 107394621

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid (CID 107394741) is 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid is CCNC(CC)(CCCN1CCCC(C)(OC)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid?
The InChIKey is ZTFZDURGOHPUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-16(14(19)20,17-6-2)10-8-12-18-11-7-9-15(3,13-18)21-4/h17H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid has a molecular weight of 300.44 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 107394741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).