3-(dibenzylamino)oxetane-3-carboxylic acid

C18H19NO3 — CID 66616918

IUPAC3-(dibenzylamino)oxetane-3-carboxylic acid
SMILESO=C(O)C1(N(Cc2ccccc2)Cc2ccccc2)COC1
InChIInChI=1S/C18H19NO3/c20-17(21)18(13-22-14-18)19(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)
InChIKeyQNOUEIQUQKMHGK-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.54
Rot. Bonds6

About 3-(dibenzylamino)oxetane-3-carboxylic acid

3-(dibenzylamino)oxetane-3-carboxylic acid (PubChem CID 66616918) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(dibenzylamino)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(dibenzylamino)oxetane-3-carboxylic acid
PubChem CID66616918
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(dibenzylamino)oxetane-3-carboxylic acid
SMILESO=C(O)C1(N(Cc2ccccc2)Cc2ccccc2)COC1
InChIInChI=1S/C18H19NO3/c20-17(21)18(13-22-14-18)19(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)
InChIKeyQNOUEIQUQKMHGK-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)oxetane-3-carboxylic acid?
The IUPAC name of 3-(dibenzylamino)oxetane-3-carboxylic acid (CID 66616918) is 3-(dibenzylamino)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(dibenzylamino)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(dibenzylamino)oxetane-3-carboxylic acid is O=C(O)C1(N(Cc2ccccc2)Cc2ccccc2)COC1.
What is the InChIKey of 3-(dibenzylamino)oxetane-3-carboxylic acid?
The InChIKey is QNOUEIQUQKMHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(21)18(13-22-14-18)19(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21).
What are the key properties of 3-(dibenzylamino)oxetane-3-carboxylic acid?
3-(dibenzylamino)oxetane-3-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)oxetane-3-carboxylic acid is sourced from PubChem (CID 66616918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).