ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate

C14H27NO4 — CID 102607567

IUPACethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCCOC1COC1)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-4-8-15-14(3,13(16)18-5-2)7-6-9-19-12-10-17-11-12/h12,15H,4-11H2,1-3H3
InChIKeyDUAGBELFXBBEMJ-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.50
Rot. Bonds10

About ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate

ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate (PubChem CID 102607567) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate
PubChem CID102607567
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCCOC1COC1)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-4-8-15-14(3,13(16)18-5-2)7-6-9-19-12-10-17-11-12/h12,15H,4-11H2,1-3H3
InChIKeyDUAGBELFXBBEMJ-UHFFFAOYSA-N
XLogP1.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.50
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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Related Compounds

ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethyl 2-(ethylamino)-2-methyl-3-(oxetan-3-yloxy)propanoate
CID 102607480
2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 102607418
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
CID 102607468
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
CID 102607607
ethyl 2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoate
CID 66371370
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 62122726
2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
CID 102607610
ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate
CID 56805059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate (CID 102607567) is ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate is CCCNC(C)(CCCOC1COC1)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate?
The InChIKey is DUAGBELFXBBEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-8-15-14(3,13(16)18-5-2)7-6-9-19-12-10-17-11-12/h12,15H,4-11H2,1-3H3.
What are the key properties of ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate?
ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate has a molecular weight of 273.37 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate is sourced from PubChem (CID 102607567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).