2-(1H-indol-5-yloxycarbonyl)pentanoic acid

C14H15NO4 — CID 130275684

IUPAC2-(1H-indol-5-yloxycarbonyl)pentanoic acid
SMILESCCCC(C(=O)O)C(=O)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H15NO4/c1-2-3-11(13(16)17)14(18)19-10-4-5-12-9(8-10)6-7-15-12/h4-8,11,15H,2-3H2,1H3,(H,16,17)
InChIKeyOQCXPQOIBXALSA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.57
Rot. Bonds5

About 2-(1H-indol-5-yloxycarbonyl)pentanoic acid

2-(1H-indol-5-yloxycarbonyl)pentanoic acid (PubChem CID 130275684) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1H-indol-5-yloxycarbonyl)pentanoic acid.

Molecular Properties

Compound Name2-(1H-indol-5-yloxycarbonyl)pentanoic acid
PubChem CID130275684
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(1H-indol-5-yloxycarbonyl)pentanoic acid
SMILESCCCC(C(=O)O)C(=O)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H15NO4/c1-2-3-11(13(16)17)14(18)19-10-4-5-12-9(8-10)6-7-15-12/h4-8,11,15H,2-3H2,1H3,(H,16,17)
InChIKeyOQCXPQOIBXALSA-UHFFFAOYSA-N
XLogP2.57
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1H-indol-5-yl pentanoate
CID 174735386
2-phenoxycarbonylpentanoic acid
CID 54073131
5-propan-2-yloxy-1H-indole
CID 16738054
2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
CID 65223413
1-bromobutyl 1H-indole-5-carboxylate
CID 70108962
5-heptoxy-1H-indole
CID 80642434
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
5-methylsulfanyloxy-1H-indole
CID 139836435
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
1H-indol-6-yl hydrogen carbonate
CID 57316242

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yloxycarbonyl)pentanoic acid?
The IUPAC name of 2-(1H-indol-5-yloxycarbonyl)pentanoic acid (CID 130275684) is 2-(1H-indol-5-yloxycarbonyl)pentanoic acid.
What is the SMILES notation for 2-(1H-indol-5-yloxycarbonyl)pentanoic acid?
The canonical SMILES for 2-(1H-indol-5-yloxycarbonyl)pentanoic acid is CCCC(C(=O)O)C(=O)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yloxycarbonyl)pentanoic acid?
The InChIKey is OQCXPQOIBXALSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-3-11(13(16)17)14(18)19-10-4-5-12-9(8-10)6-7-15-12/h4-8,11,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-(1H-indol-5-yloxycarbonyl)pentanoic acid?
2-(1H-indol-5-yloxycarbonyl)pentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yloxycarbonyl)pentanoic acid is sourced from PubChem (CID 130275684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).