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

C16H32N2O2 — CID 106805841

IUPAC2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
SMILESCCNC(CC)(CCCN1CCCC(CC)C1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-4-14-9-7-11-18(13-14)12-8-10-16(5-2,15(19)20)17-6-3/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyIZIRFDRHAVPXCP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds9

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

2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid (PubChem CID 106805841) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
PubChem CID106805841
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
SMILESCCNC(CC)(CCCN1CCCC(CC)C1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-4-14-9-7-11-18(13-14)12-8-10-16(5-2,15(19)20)17-6-3/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyIZIRFDRHAVPXCP-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805693
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
3-ethyl-1-heptylpiperidine
CID 171569576
5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 113418654
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid (CID 106805841) is 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid is CCNC(CC)(CCCN1CCCC(CC)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid?
The InChIKey is IZIRFDRHAVPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-14-9-7-11-18(13-14)12-8-10-16(5-2,15(19)20)17-6-3/h14,17H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 106805841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).