ethyl 2-(2-amino-2-ethylbutoxy)pentanoate

C13H27NO3 — CID 106940048

IUPACethyl 2-(2-amino-2-ethylbutoxy)pentanoate
SMILESCCCC(OCC(N)(CC)CC)C(=O)OCC
InChIInChI=1S/C13H27NO3/c1-5-9-11(12(15)16-8-4)17-10-13(14,6-2)7-3/h11H,5-10,14H2,1-4H3
InChIKeyBHJFIBFIAHPPTE-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.25
Rot. Bonds9

About ethyl 2-(2-amino-2-ethylbutoxy)pentanoate

ethyl 2-(2-amino-2-ethylbutoxy)pentanoate (PubChem CID 106940048) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-ethylbutoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-ethylbutoxy)pentanoate
PubChem CID106940048
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethyl 2-(2-amino-2-ethylbutoxy)pentanoate
SMILESCCCC(OCC(N)(CC)CC)C(=O)OCC
InChIInChI=1S/C13H27NO3/c1-5-9-11(12(15)16-8-4)17-10-13(14,6-2)7-3/h11H,5-10,14H2,1-4H3
InChIKeyBHJFIBFIAHPPTE-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(4-methylpentoxy)pentanoate
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CID 106939578
ethyl 2-(2-methylpropanoyloxy)pentanoate
CID 137351273
2-(2-amino-2-ethylbutoxy)-N-tert-butylpropanamide
CID 64572079
(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
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methyl (2R)-2-methoxypentanoate
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ethyl 2-benzhydryloxypentanoate
CID 22159721
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
ethyl 2-(oxetan-3-yloxy)pentanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-ethylbutoxy)pentanoate?
The IUPAC name of ethyl 2-(2-amino-2-ethylbutoxy)pentanoate (CID 106940048) is ethyl 2-(2-amino-2-ethylbutoxy)pentanoate.
What is the SMILES notation for ethyl 2-(2-amino-2-ethylbutoxy)pentanoate?
The canonical SMILES for ethyl 2-(2-amino-2-ethylbutoxy)pentanoate is CCCC(OCC(N)(CC)CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-amino-2-ethylbutoxy)pentanoate?
The InChIKey is BHJFIBFIAHPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-9-11(12(15)16-8-4)17-10-13(14,6-2)7-3/h11H,5-10,14H2,1-4H3.
What are the key properties of ethyl 2-(2-amino-2-ethylbutoxy)pentanoate?
ethyl 2-(2-amino-2-ethylbutoxy)pentanoate has a molecular weight of 245.36 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-ethylbutoxy)pentanoate is sourced from PubChem (CID 106940048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).