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

C17H20N2O4 — CID 119235421

IUPAC2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)COC3CCCC3)ccc21
InChIInChI=1S/C17H20N2O4/c20-16(11-23-14-3-1-2-4-14)18-13-5-6-15-12(9-13)7-8-19(15)10-17(21)22/h5-9,14H,1-4,10-11H2,(H,18,20)(H,21,22)
InChIKeyHFJDLKJVVBQSKD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.62
Rot. Bonds6

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

2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid (PubChem CID 119235421) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
PubChem CID119235421
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)COC3CCCC3)ccc21
InChIInChI=1S/C17H20N2O4/c20-16(11-23-14-3-1-2-4-14)18-13-5-6-15-12(9-13)7-8-19(15)10-17(21)22/h5-9,14H,1-4,10-11H2,(H,18,20)(H,21,22)
InChIKeyHFJDLKJVVBQSKD-UHFFFAOYSA-N
XLogP2.62
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
CID 119235612
2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
CID 120687451
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
2-[5-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235539
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide
CID 86900794
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402
2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 120687453
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid (CID 119235421) is 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid is O=C(O)Cn1ccc2cc(NC(=O)COC3CCCC3)ccc21.
What is the InChIKey of 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid?
The InChIKey is HFJDLKJVVBQSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-16(11-23-14-3-1-2-4-14)18-13-5-6-15-12(9-13)7-8-19(15)10-17(21)22/h5-9,14H,1-4,10-11H2,(H,18,20)(H,21,22).
What are the key properties of 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid?
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).