methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate

C13H28N2O3 — CID 63690173

IUPACmethyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate
SMILESCCOCCN(CC)CCCC(C)(N)C(=O)OC
InChIInChI=1S/C13H28N2O3/c1-5-15(10-11-18-6-2)9-7-8-13(3,14)12(16)17-4/h5-11,14H2,1-4H3
InChIKeyBIEBESRUKWZENM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.02
Rot. Bonds10

About methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate

methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate (PubChem CID 63690173) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate
PubChem CID63690173
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Namemethyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate
SMILESCCOCCN(CC)CCCC(C)(N)C(=O)OC
InChIInChI=1S/C13H28N2O3/c1-5-15(10-11-18-6-2)9-7-8-13(3,14)12(16)17-4/h5-11,14H2,1-4H3
InChIKeyBIEBESRUKWZENM-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate (CID 63690173) is methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate is CCOCCN(CC)CCCC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate?
The InChIKey is BIEBESRUKWZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-15(10-11-18-6-2)9-7-8-13(3,14)12(16)17-4/h5-11,14H2,1-4H3.
What are the key properties of methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate?
methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate has a molecular weight of 260.38 g/mol, XLogP of 1.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate is sourced from PubChem (CID 63690173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).