2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid

C15H18N2O5 — CID 119235392

IUPAC2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
SMILESCOCCOCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C15H18N2O5/c1-21-6-7-22-10-14(18)16-12-2-3-13-11(8-12)4-5-17(13)9-15(19)20/h2-5,8H,6-7,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyUZZLQEYUPTWJFC-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.33
Rot. Bonds8

About 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid

2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid (PubChem CID 119235392) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
PubChem CID119235392
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
SMILESCOCCOCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C15H18N2O5/c1-21-6-7-22-10-14(18)16-12-2-3-13-11(8-12)4-5-17(13)9-15(19)20/h2-5,8H,6-7,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyUZZLQEYUPTWJFC-UHFFFAOYSA-N
XLogP1.33
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
CID 119235612
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid
CID 147717575
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235594
2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235412

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid (CID 119235392) is 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid is COCCOCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid?
The InChIKey is UZZLQEYUPTWJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-21-6-7-22-10-14(18)16-12-2-3-13-11(8-12)4-5-17(13)9-15(19)20/h2-5,8H,6-7,9-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid?
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).