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

C13H16O3 — CID 104876281

IUPAC(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
SMILESC[C@H](OCc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C13H16O3/c1-9(13(14)15)16-8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyJODAZEIFSOXHBM-VIFPVBQESA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds4

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

(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid (PubChem CID 104876281) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
PubChem CID104876281
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
SMILESC[C@H](OCc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C13H16O3/c1-9(13(14)15)16-8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyJODAZEIFSOXHBM-VIFPVBQESA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
CID 80722668
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid (CID 104876281) is (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid is C[C@H](OCc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid?
The InChIKey is JODAZEIFSOXHBM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16O3/c1-9(13(14)15)16-8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid?
(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid is sourced from PubChem (CID 104876281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).