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

C16H21NO4 — CID 65217775

IUPAC2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)COc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H21NO4/c1-2-11(16(19)20)9-17-15(18)10-21-14-7-6-12-4-3-5-13(12)8-14/h6-8,11H,2-5,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyXNGPMCWJURFPDR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.78
Rot. Bonds7

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

2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid (PubChem CID 65217775) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
PubChem CID65217775
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)COc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H21NO4/c1-2-11(16(19)20)9-17-15(18)10-21-14-7-6-12-4-3-5-13(12)8-14/h6-8,11H,2-5,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyXNGPMCWJURFPDR-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-N-propylacetamide
CID 9163185
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 24542506
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552545
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862218
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
CID 65219085
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 65219294

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid (CID 65217775) is 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid is CCC(CNC(=O)COc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid?
The InChIKey is XNGPMCWJURFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-11(16(19)20)9-17-15(18)10-21-14-7-6-12-4-3-5-13(12)8-14/h6-8,11H,2-5,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid?
2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.78, 7 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]methyl]butanoic acid is sourced from PubChem (CID 65217775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).