7-[(2-indol-1-ylacetyl)amino]heptanoic acid

C17H22N2O3 — CID 119227491

IUPAC7-[(2-indol-1-ylacetyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C17H22N2O3/c20-16(18-11-6-2-1-3-9-17(21)22)13-19-12-10-14-7-4-5-8-15(14)19/h4-5,7-8,10,12H,1-3,6,9,11,13H2,(H,18,20)(H,21,22)
InChIKeyMXGMTEFCKRRUOP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.79
Rot. Bonds9

About 7-[(2-indol-1-ylacetyl)amino]heptanoic acid

7-[(2-indol-1-ylacetyl)amino]heptanoic acid (PubChem CID 119227491) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-[(2-indol-1-ylacetyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-indol-1-ylacetyl)amino]heptanoic acid
PubChem CID119227491
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name7-[(2-indol-1-ylacetyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C17H22N2O3/c20-16(18-11-6-2-1-3-9-17(21)22)13-19-12-10-14-7-4-5-8-15(14)19/h4-5,7-8,10,12H,1-3,6,9,11,13H2,(H,18,20)(H,21,22)
InChIKeyMXGMTEFCKRRUOP-UHFFFAOYSA-N
XLogP2.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
CID 45492894
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
CID 71915489
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922

Frequently Asked Questions

What is the IUPAC name of 7-[(2-indol-1-ylacetyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-indol-1-ylacetyl)amino]heptanoic acid (CID 119227491) is 7-[(2-indol-1-ylacetyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-indol-1-ylacetyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-indol-1-ylacetyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of 7-[(2-indol-1-ylacetyl)amino]heptanoic acid?
The InChIKey is MXGMTEFCKRRUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(18-11-6-2-1-3-9-17(21)22)13-19-12-10-14-7-4-5-8-15(14)19/h4-5,7-8,10,12H,1-3,6,9,11,13H2,(H,18,20)(H,21,22).
What are the key properties of 7-[(2-indol-1-ylacetyl)amino]heptanoic acid?
7-[(2-indol-1-ylacetyl)amino]heptanoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-indol-1-ylacetyl)amino]heptanoic acid is sourced from PubChem (CID 119227491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).