2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid

C15H19NO4 — CID 61261141

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)COc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H19NO4/c1-15(2,14(18)19)16-13(17)9-20-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXTURXAIJWGMFGW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.53
Rot. Bonds5

About 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid

2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61261141) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
PubChem CID61261141
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)COc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H19NO4/c1-15(2,14(18)19)16-13(17)9-20-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXTURXAIJWGMFGW-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
CID 65217775
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-N-propylacetamide
CID 9163185
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid (CID 61261141) is 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)COc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is XTURXAIJWGMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,14(18)19)16-13(17)9-20-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61261141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).