ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate

C14H27NO3 — CID 65167647

IUPACethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(OCC)C1(C)CC
InChIInChI=1S/C14H27NO3/c1-6-14(5)11(9-12(14)17-7-2)15-10(4)13(16)18-8-3/h10-12,15H,6-9H2,1-5H3
InChIKeyDWBKZUKEMVATDI-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds7

About ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate

ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate (PubChem CID 65167647) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
PubChem CID65167647
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(OCC)C1(C)CC
InChIInChI=1S/C14H27NO3/c1-6-14(5)11(9-12(14)17-7-2)15-10(4)13(16)18-8-3/h10-12,15H,6-9H2,1-5H3
InChIKeyDWBKZUKEMVATDI-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate (CID 65167647) is ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate is CCOC(=O)C(C)NC1CC(OCC)C1(C)CC.
What is the InChIKey of ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate?
The InChIKey is DWBKZUKEMVATDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-14(5)11(9-12(14)17-7-2)15-10(4)13(16)18-8-3/h10-12,15H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate?
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate is sourced from PubChem (CID 65167647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).