ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate

C15H31N3O2 — CID 63633515

IUPACethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
SMILESCCOC(=O)C(C)(N)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H31N3O2/c1-6-20-13(19)15(4,16)8-7-9-18-11-10-17(5)14(2,3)12-18/h6-12,16H2,1-5H3
InChIKeyCSFKWFLMUBYGIH-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.07
Rot. Bonds6

About ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate

ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate (PubChem CID 63633515) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
PubChem CID63633515
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
SMILESCCOC(=O)C(C)(N)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H31N3O2/c1-6-20-13(19)15(4,16)8-7-9-18-11-10-17(5)14(2,3)12-18/h6-12,16H2,1-5H3
InChIKeyCSFKWFLMUBYGIH-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 55161934
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 79184776
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163910
2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
CID 106803653
ethyl 3-oxo-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 63897382
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate (CID 63633515) is ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate is CCOC(=O)C(C)(N)CCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate?
The InChIKey is CSFKWFLMUBYGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-20-13(19)15(4,16)8-7-9-18-11-10-17(5)14(2,3)12-18/h6-12,16H2,1-5H3.
What are the key properties of ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate?
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate has a molecular weight of 285.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate is sourced from PubChem (CID 63633515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).