2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol

C12H25NO4 — CID 113365396

IUPAC2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol
SMILESCCOC1CC(NC(CC)(CO)CO)C1OC
InChIInChI=1S/C12H25NO4/c1-4-12(7-14,8-15)13-9-6-10(17-5-2)11(9)16-3/h9-11,13-15H,4-8H2,1-3H3
InChIKeyRVXMKUDFKLGKJS-UHFFFAOYSA-N
MW247.33 g/mol
LogP-0.10
Rot. Bonds8

About 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol

2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 113365396) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol
PubChem CID113365396
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol
SMILESCCOC1CC(NC(CC)(CO)CO)C1OC
InChIInChI=1S/C12H25NO4/c1-4-12(7-14,8-15)13-9-6-10(17-5-2)11(9)16-3/h9-11,13-15H,4-8H2,1-3H3
InChIKeyRVXMKUDFKLGKJS-UHFFFAOYSA-N
XLogP-0.10
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol (CID 113365396) is 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol is CCOC1CC(NC(CC)(CO)CO)C1OC.
What is the InChIKey of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is RVXMKUDFKLGKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-12(7-14,8-15)13-9-6-10(17-5-2)11(9)16-3/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol?
2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 247.33 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 113365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).