3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol

C11H23NO3 — CID 66177385

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol
SMILESCCOC1CC(NCC(O)CO)C1(C)C
InChIInChI=1S/C11H23NO3/c1-4-15-10-5-9(11(10,2)3)12-6-8(14)7-13/h8-10,12-14H,4-7H2,1-3H3
InChIKeyADSWJWMJBXQAGY-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.13
Rot. Bonds6

About 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol (PubChem CID 66177385) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol
PubChem CID66177385
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol
SMILESCCOC1CC(NCC(O)CO)C1(C)C
InChIInChI=1S/C11H23NO3/c1-4-15-10-5-9(11(10,2)3)12-6-8(14)7-13/h8-10,12-14H,4-7H2,1-3H3
InChIKeyADSWJWMJBXQAGY-UHFFFAOYSA-N
XLogP0.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol (CID 66177385) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol is CCOC1CC(NCC(O)CO)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol?
The InChIKey is ADSWJWMJBXQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-15-10-5-9(11(10,2)3)12-6-8(14)7-13/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol?
3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol has a molecular weight of 217.31 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol is sourced from PubChem (CID 66177385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).