3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid

C13H15NO2 — CID 105471092

IUPAC3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESO=C(O)c1cccc2c1C(N1CCC1)CC2
InChIInChI=1S/C13H15NO2/c15-13(16)10-4-1-3-9-5-6-11(12(9)10)14-7-2-8-14/h1,3-4,11H,2,5-8H2,(H,15,16)
InChIKeyMOGRBAPENXWKIQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds2

About 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid

3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 105471092) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID105471092
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESO=C(O)c1cccc2c1C(N1CCC1)CC2
InChIInChI=1S/C13H15NO2/c15-13(16)10-4-1-3-9-5-6-11(12(9)10)14-7-2-8-14/h1,3-4,11H,2,5-8H2,(H,15,16)
InChIKeyMOGRBAPENXWKIQ-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid (CID 105471092) is 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid is O=C(O)c1cccc2c1C(N1CCC1)CC2.
What is the InChIKey of 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is MOGRBAPENXWKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)10-4-1-3-9-5-6-11(12(9)10)14-7-2-8-14/h1,3-4,11H,2,5-8H2,(H,15,16).
What are the key properties of 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid?
3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 105471092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).