5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid

C15H31N3O2 — CID 106805828

IUPAC5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1CCC(N(C)C)CC1)(NC)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-5-15(16-2,14(19)20)9-6-10-18-11-7-13(8-12-18)17(3)4/h13,16H,5-12H2,1-4H3,(H,19,20)
InChIKeyUILCWIXGNIOMQV-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.25
Rot. Bonds8

About 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid

5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106805828) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106805828
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1CCC(N(C)C)CC1)(NC)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-5-15(16-2,14(19)20)9-6-10-18-11-7-13(8-12-18)17(3)4/h13,16H,5-12H2,1-4H3,(H,19,20)
InChIKeyUILCWIXGNIOMQV-UHFFFAOYSA-N
XLogP1.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
CID 106805855

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid (CID 106805828) is 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid is CCC(CCCN1CCC(N(C)C)CC1)(NC)C(=O)O.
What is the InChIKey of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is UILCWIXGNIOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-15(16-2,14(19)20)9-6-10-18-11-7-13(8-12-18)17(3)4/h13,16H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid?
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106805828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).