methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate

C14H27NO3 — CID 83033168

IUPACmethyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
SMILESCCC1(CC)CC(NCC(C)C(=O)OC)CCO1
InChIInChI=1S/C14H27NO3/c1-5-14(6-2)9-12(7-8-18-14)15-10-11(3)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyZPOXLWQFEPLTKR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds6

About methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate

methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate (PubChem CID 83033168) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
PubChem CID83033168
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
SMILESCCC1(CC)CC(NCC(C)C(=O)OC)CCO1
InChIInChI=1S/C14H27NO3/c1-5-14(6-2)9-12(7-8-18-14)15-10-11(3)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyZPOXLWQFEPLTKR-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate (CID 83033168) is methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate is CCC1(CC)CC(NCC(C)C(=O)OC)CCO1.
What is the InChIKey of methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate?
The InChIKey is ZPOXLWQFEPLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-14(6-2)9-12(7-8-18-14)15-10-11(3)13(16)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate?
methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 83033168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).