2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C19H21NO3 — CID 67019087

IUPAC2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCc1cccnc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
InChIInChI=1S/C19H21NO3/c1-13-3-2-9-20-18(13)8-10-23-16-6-7-17-14(11-16)4-5-15(17)12-19(21)22/h2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyLEYSCCSTCOKTSG-HNNXBMFYSA-N
MW311.38 g/mol
LogP3.52
Rot. Bonds6

About 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 67019087) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID67019087
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCc1cccnc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
InChIInChI=1S/C19H21NO3/c1-13-3-2-9-20-18(13)8-10-23-16-6-7-17-14(11-16)4-5-15(17)12-19(21)22/h2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyLEYSCCSTCOKTSG-HNNXBMFYSA-N
XLogP3.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
2-[(1S)-5-[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 67018959
ethyl 2-[(1S)-5-[2-(6-chloro-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 59300493
2-[(1S)-5-[2-[5-methyl-2-[(4-phenylbenzoyl)amino]-1,3-thiazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 142856220
2-[(1S)-5-[2-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 58700765
2-[(1S)-5-[2-[2-[4-(4-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 142856255
2-[(1S)-5-[3-[[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 67019096
2-[(1S)-5-[3-(4-isocyanophenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 170519421
N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 142856032
2-[(1S)-5-[2-methyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985892
2-[(1S)-5-[3-[[2-(4-acetylphenyl)-5-methylpyrimidin-4-yl]methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 67019072
ethyl 2-[(1S)-5-[2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 86598051

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 67019087) is 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is Cc1cccnc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O.
What is the InChIKey of 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is LEYSCCSTCOKTSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-3-2-9-20-18(13)8-10-23-16-6-7-17-14(11-16)4-5-15(17)12-19(21)22/h2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 67019087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).