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

C14H19NO2 — CID 82082804

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
SMILESCN(C)CC(C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-15(2)9-13(14(16)17)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyGMGOVYHTGZLYQU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid (PubChem CID 82082804) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
PubChem CID82082804
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
SMILESCN(C)CC(C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-15(2)9-13(14(16)17)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyGMGOVYHTGZLYQU-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 82083822
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956018
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
CID 116945049
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid (CID 82082804) is 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid is CN(C)CC(C(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid?
The InChIKey is GMGOVYHTGZLYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)9-13(14(16)17)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid?
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid is sourced from PubChem (CID 82082804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).