2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid

C16H20N2O4 — CID 119235428

IUPAC2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
SMILESCOCCCCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C16H20N2O4/c1-22-9-3-2-4-15(19)17-13-5-6-14-12(10-13)7-8-18(14)11-16(20)21/h5-8,10H,2-4,9,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyDCAPMHNROAAMIS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.48
Rot. Bonds8

About 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid

2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid (PubChem CID 119235428) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
PubChem CID119235428
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
SMILESCOCCCCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C16H20N2O4/c1-22-9-3-2-4-15(19)17-13-5-6-14-12(10-13)7-8-18(14)11-16(20)21/h5-8,10H,2-4,9,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyDCAPMHNROAAMIS-UHFFFAOYSA-N
XLogP2.48
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid
CID 147717575
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 120687453
2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
CID 119235612
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid (CID 119235428) is 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid is COCCCCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid?
The InChIKey is DCAPMHNROAAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-22-9-3-2-4-15(19)17-13-5-6-14-12(10-13)7-8-18(14)11-16(20)21/h5-8,10H,2-4,9,11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid?
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid is sourced from PubChem (CID 119235428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).