2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid

C14H19NO3 — CID 112518654

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
SMILESCNCCC(Oc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H19NO3/c1-15-8-7-13(14(16)17)18-12-6-5-10-3-2-4-11(10)9-12/h5-6,9,13,15H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyVIAXGMCLUBFEJF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid

2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid (PubChem CID 112518654) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
PubChem CID112518654
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
SMILESCNCCC(Oc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H19NO3/c1-15-8-7-13(14(16)17)18-12-6-5-10-3-2-4-11(10)9-12/h5-6,9,13,15H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyVIAXGMCLUBFEJF-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
CID 112519133
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
CID 62460723
4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
CID 55180899
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid
CID 70243662
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid (CID 112518654) is 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid is CNCCC(Oc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid?
The InChIKey is VIAXGMCLUBFEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-8-7-13(14(16)17)18-12-6-5-10-3-2-4-11(10)9-12/h5-6,9,13,15H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid?
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid is sourced from PubChem (CID 112518654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).