ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate

C13H27N3O2 — CID 63635250

IUPACethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
SMILESCCOC(=O)C(N)CCN1CCN(CC)C(C)C1
InChIInChI=1S/C13H27N3O2/c1-4-16-9-8-15(10-11(16)3)7-6-12(14)13(17)18-5-2/h11-12H,4-10,14H2,1-3H3
InChIKeyDWDFROYHANJURV-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate

ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate (PubChem CID 63635250) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
PubChem CID63635250
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nameethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
SMILESCCOC(=O)C(N)CCN1CCN(CC)C(C)C1
InChIInChI=1S/C13H27N3O2/c1-4-16-9-8-15(10-11(16)3)7-6-12(14)13(17)18-5-2/h11-12H,4-10,14H2,1-3H3
InChIKeyDWDFROYHANJURV-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
CID 103152536
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
CID 63604012
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?
The IUPAC name of ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate (CID 63635250) is ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?
The canonical SMILES for ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate is CCOC(=O)C(N)CCN1CCN(CC)C(C)C1.
What is the InChIKey of ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?
The InChIKey is DWDFROYHANJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16-9-8-15(10-11(16)3)7-6-12(14)13(17)18-5-2/h11-12H,4-10,14H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate is sourced from PubChem (CID 63635250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).