ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate

C15H31NO2 — CID 79483065

IUPACethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
SMILESCCOC(=O)C(C)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C15H31NO2/c1-7-14(8-2)16(10-12(4)5)11-13(6)15(17)18-9-3/h12-14H,7-11H2,1-6H3
InChIKeyYMNBRHFGOJBZOS-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.33
Rot. Bonds9

About ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate

ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate (PubChem CID 79483065) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
PubChem CID79483065
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
SMILESCCOC(=O)C(C)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C15H31NO2/c1-7-14(8-2)16(10-12(4)5)11-13(6)15(17)18-9-3/h12-14H,7-11H2,1-6H3
InChIKeyYMNBRHFGOJBZOS-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate (CID 79483065) is ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate is CCOC(=O)C(C)CN(CC(C)C)C(CC)CC.
What is the InChIKey of ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
The InChIKey is YMNBRHFGOJBZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-14(8-2)16(10-12(4)5)11-13(6)15(17)18-9-3/h12-14H,7-11H2,1-6H3.
What are the key properties of ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate has a molecular weight of 257.42 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate is sourced from PubChem (CID 79483065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).