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

C15H20N2O3 — CID 103999365

IUPAC2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC(N)CCCC(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C15H20N2O3/c1-10(16)3-2-4-14(18)17-8-12-6-5-11(15(19)20)7-13(12)9-17/h5-7,10H,2-4,8-9,16H2,1H3,(H,19,20)
InChIKeyXDLKKFDUZHVKLC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

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

2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103999365) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103999365
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC(N)CCCC(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C15H20N2O3/c1-10(16)3-2-4-14(18)17-8-12-6-5-11(15(19)20)7-13(12)9-17/h5-7,10H,2-4,8-9,16H2,1H3,(H,19,20)
InChIKeyXDLKKFDUZHVKLC-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-amino-4-methylhexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999431
2-(2-propan-2-ylsulfanylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363473
2-(3-methylsulfanylpropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363484
2-(2-ethoxyacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997130
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250
2-(2-amino-3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999397
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999723
2-[methyl(propyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999710
2-(2-acetamidopropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997282
2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997300
2-[(4-amino-4-oxobutyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999743

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103999365) is 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid is CC(N)CCCC(=O)N1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is XDLKKFDUZHVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(16)3-2-4-14(18)17-8-12-6-5-11(15(19)20)7-13(12)9-17/h5-7,10H,2-4,8-9,16H2,1H3,(H,19,20).
What are the key properties of 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103999365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).