1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid

C13H15NO2 — CID 105471084

IUPAC1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC2N1CCC1
InChIInChI=1S/C13H15NO2/c15-13(16)10-2-4-11-9(8-10)3-5-12(11)14-6-1-7-14/h2,4,8,12H,1,3,5-7H2,(H,15,16)
InChIKeyCEURTRHXEWKTHY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds2

About 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid

1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 105471084) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID105471084
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC2N1CCC1
InChIInChI=1S/C13H15NO2/c15-13(16)10-2-4-11-9(8-10)3-5-12(11)14-6-1-7-14/h2,4,8,12H,1,3,5-7H2,(H,15,16)
InChIKeyCEURTRHXEWKTHY-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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Related Compounds

(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892
(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129389365
5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105471083
3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105471092
[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl] hydrogen carbonate
CID 141293809
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
(1S)-1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686812
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 105471084) is 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCC2N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is CEURTRHXEWKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)10-2-4-11-9(8-10)3-5-12(11)14-6-1-7-14/h2,4,8,12H,1,3,5-7H2,(H,15,16).
What are the key properties of 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-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 1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 105471084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).