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

C15H31N3O2 — CID 63635964

IUPAC2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
SMILESCCNC(C)(CCCN1CCN(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-6-16-15(4,13(19)20)8-7-9-18-11-10-17(5)14(2,3)12-18/h16H,6-12H2,1-5H3,(H,19,20)
InChIKeyWQXOHYJBIOPFPY-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.25
Rot. Bonds7

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

2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid (PubChem CID 63635964) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
PubChem CID63635964
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
SMILESCCNC(C)(CCCN1CCN(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-6-16-15(4,13(19)20)8-7-9-18-11-10-17(5)14(2,3)12-18/h16H,6-12H2,1-5H3,(H,19,20)
InChIKeyWQXOHYJBIOPFPY-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
2-methyl-2-(propan-2-ylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butanoic acid
CID 63633516
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539447
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 62229962
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
CID 106808752
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid (CID 63635964) is 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid is CCNC(C)(CCCN1CCN(C)C(C)(C)C1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The InChIKey is WQXOHYJBIOPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-16-15(4,13(19)20)8-7-9-18-11-10-17(5)14(2,3)12-18/h16H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.25, 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-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 63635964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).