ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate

C13H25NO3 — CID 63711538

IUPACethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)CC1CCOCC1
InChIInChI=1S/C13H25NO3/c1-4-17-13(15)9-11(2)14(3)10-12-5-7-16-8-6-12/h11-12H,4-10H2,1-3H3
InChIKeyISKUKWSYQAZCJQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.69
Rot. Bonds6

About ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate

ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate (PubChem CID 63711538) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
PubChem CID63711538
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)CC1CCOCC1
InChIInChI=1S/C13H25NO3/c1-4-17-13(15)9-11(2)14(3)10-12-5-7-16-8-6-12/h11-12H,4-10H2,1-3H3
InChIKeyISKUKWSYQAZCJQ-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate?
The IUPAC name of ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate (CID 63711538) is ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate?
The canonical SMILES for ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate is CCOC(=O)CC(C)N(C)CC1CCOCC1.
What is the InChIKey of ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate?
The InChIKey is ISKUKWSYQAZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-17-13(15)9-11(2)14(3)10-12-5-7-16-8-6-12/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate?
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate has a molecular weight of 243.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate is sourced from PubChem (CID 63711538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).