azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate

C9H23NO4 — CID 174848881

IUPACazetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate
SMILESC1CNC1.CCC(CO)(CO)CO.O
InChIInChI=1S/C6H14O3.C3H7N.H2O/c1-2-6(3-7,4-8)5-9;1-2-4-3-1;/h7-9H,2-5H2,1H3;4H,1-3H2;1H2
InChIKeyGEDMSOZPYAUIOP-UHFFFAOYSA-N
MW209.29 g/mol
LogP-1.49
Rot. Bonds4

About azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate

azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate (PubChem CID 174848881) has the molecular formula C9H23NO4 and a molecular weight of 209.29 g/mol. Its IUPAC name is azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate.

Molecular Properties

Compound Nameazetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate
PubChem CID174848881
Molecular FormulaC9H23NO4
Molecular Weight209.29 g/mol
Exact Mass209.16
IUPAC Nameazetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate
SMILESC1CNC1.CCC(CO)(CO)CO.O
InChIInChI=1S/C6H14O3.C3H7N.H2O/c1-2-6(3-7,4-8)5-9;1-2-4-3-1;/h7-9H,2-5H2,1H3;4H,1-3H2;1H2
InChIKeyGEDMSOZPYAUIOP-UHFFFAOYSA-N
XLogP-1.49
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
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CID 174549164
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Frequently Asked Questions

What is the IUPAC name of azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate?
The IUPAC name of azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate (CID 174848881) is azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate.
What is the SMILES notation for azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate?
The canonical SMILES for azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate is C1CNC1.CCC(CO)(CO)CO.O.
What is the InChIKey of azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate?
The InChIKey is GEDMSOZPYAUIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H7N.H2O/c1-2-6(3-7,4-8)5-9;1-2-4-3-1;/h7-9H,2-5H2,1H3;4H,1-3H2;1H2.
What are the key properties of azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate?
azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate has a molecular weight of 209.29 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate is sourced from PubChem (CID 174848881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).