ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate

C14H27NO4 — CID 64705907

IUPACethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCC1CCCO1)NC
InChIInChI=1S/C14H27NO4/c1-5-17-13(16)14(3,15-4)9-11(2)19-10-12-7-6-8-18-12/h11-12,15H,5-10H2,1-4H3
InChIKeyKFJGIUKHXMRURN-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.50
Rot. Bonds8

About ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate

ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate (PubChem CID 64705907) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
PubChem CID64705907
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCC1CCCO1)NC
InChIInChI=1S/C14H27NO4/c1-5-17-13(16)14(3,15-4)9-11(2)19-10-12-7-6-8-18-12/h11-12,15H,5-10H2,1-4H3
InChIKeyKFJGIUKHXMRURN-UHFFFAOYSA-N
XLogP1.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate (CID 64705907) is ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate is CCOC(=O)C(C)(CC(C)OCC1CCCO1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
The InChIKey is KFJGIUKHXMRURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-17-13(16)14(3,15-4)9-11(2)19-10-12-7-6-8-18-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate has a molecular weight of 273.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate is sourced from PubChem (CID 64705907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).