1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid

C15H20N2O3 — CID 82851509

IUPAC1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC(N)CCCC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(16)5-4-8-14(18)17-9-12(15(19)20)11-6-2-3-7-13(11)17/h2-3,6-7,10,12H,4-5,8-9,16H2,1H3,(H,19,20)
InChIKeyVKKQMFVRYIYWBT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds5

About 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid

1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 82851509) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID82851509
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC(N)CCCC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(16)5-4-8-14(18)17-9-12(15(19)20)11-6-2-3-7-13(11)17/h2-3,6-7,10,12H,4-5,8-9,16H2,1H3,(H,19,20)
InChIKeyVKKQMFVRYIYWBT-UHFFFAOYSA-N
XLogP1.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic 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

1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
4-(5-aminohexanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 82850277
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-(5-amino-2-methylpentanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 115867162
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963
1-[3-(2-methylphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691335
1-[4-(4-ethylphenyl)-4-oxobutanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691460

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid (CID 82851509) is 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid is CC(N)CCCC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is VKKQMFVRYIYWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(16)5-4-8-14(18)17-9-12(15(19)20)11-6-2-3-7-13(11)17/h2-3,6-7,10,12H,4-5,8-9,16H2,1H3,(H,19,20).
What are the key properties of 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 82851509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).