3-(2,3-dihydro-1H-inden-5-yl)propanoic acid

C12H14O2 — CID 12646159

IUPAC3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14O2/c13-12(14)7-5-9-4-6-10-2-1-3-11(10)8-9/h4,6,8H,1-3,5,7H2,(H,13,14)
InChIKeyRYDLHBJFDFGPNP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.19
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid

3-(2,3-dihydro-1H-inden-5-yl)propanoic acid (PubChem CID 12646159) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
PubChem CID12646159
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14O2/c13-12(14)7-5-9-4-6-10-2-1-3-11(10)8-9/h4,6,8H,1-3,5,7H2,(H,13,14)
InChIKeyRYDLHBJFDFGPNP-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
CID 116846323
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82123787
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
3-[(3E)-3-hydroxyimino-1,2-dihydroinden-5-yl]propanoic acid
CID 6034415
1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 22016689
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid (CID 12646159) is 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid is O=C(O)CCc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid?
The InChIKey is RYDLHBJFDFGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(14)7-5-9-4-6-10-2-1-3-11(10)8-9/h4,6,8H,1-3,5,7H2,(H,13,14).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid?
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)propanoic acid is sourced from PubChem (CID 12646159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).