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

C15H19NO4 — CID 60989186

IUPAC3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4/c1-16(8-7-15(18)19)14(17)10-20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyGYLARAHXFZDMFP-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds6

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

3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid (PubChem CID 60989186) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
PubChem CID60989186
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4/c1-16(8-7-15(18)19)14(17)10-20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyGYLARAHXFZDMFP-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512409
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 9108866
3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid
CID 119362855
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 112792294
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid (CID 60989186) is 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
The InChIKey is GYLARAHXFZDMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(8-7-15(18)19)14(17)10-20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 60989186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).