2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid

C15H31N3O2 — CID 114539447

IUPAC2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
SMILESCCNC(C)(CCCN1CC(C)N(C)C(C)C1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-6-16-15(4,14(19)20)8-7-9-18-10-12(2)17(5)13(3)11-18/h12-13,16H,6-11H2,1-5H3,(H,19,20)
InChIKeyKUOGAMVOJMHDMA-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.24
Rot. Bonds7

About 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid

2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid (PubChem CID 114539447) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
PubChem CID114539447
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
SMILESCCNC(C)(CCCN1CC(C)N(C)C(C)C1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-6-16-15(4,14(19)20)8-7-9-18-10-12(2)17(5)13(3)11-18/h12-13,16H,6-11H2,1-5H3,(H,19,20)
InChIKeyKUOGAMVOJMHDMA-UHFFFAOYSA-N
XLogP1.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 55218139
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 63635242
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 62229962
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
2-(ethylamino)-2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 79931921
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
2-(ethylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634712
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 104960237

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid (CID 114539447) is 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid is CCNC(C)(CCCN1CC(C)N(C)C(C)C1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
The InChIKey is KUOGAMVOJMHDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-16-15(4,14(19)20)8-7-9-18-10-12(2)17(5)13(3)11-18/h12-13,16H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 114539447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).