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

C15H19NO4 — CID 62628167

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4/c1-10(15(18)19)16(2)14(17)9-20-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyUWWIZRNVPHMHDV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds5

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

2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid (PubChem CID 62628167) 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]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
PubChem CID62628167
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4/c1-10(15(18)19)16(2)14(17)9-20-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyUWWIZRNVPHMHDV-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
CID 62626374
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
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
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 84602202
[2-(N-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 2613978
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbut-2-enoic acid
CID 55236131
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100664449
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512409

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid (CID 62628167) is 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
The InChIKey is UWWIZRNVPHMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(15(18)19)16(2)14(17)9-20-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid?
2-[[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, 5 rotatable bonds, 1 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]-methylamino]propanoic acid is sourced from PubChem (CID 62628167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).