8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid

C16H23NO3 — CID 58665157

IUPAC8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid
SMILESO=C(O)CCCCCCCN1Cc2ccccc2[C@H]1O
InChIInChI=1S/C16H23NO3/c18-15(19)10-4-2-1-3-7-11-17-12-13-8-5-6-9-14(13)16(17)20/h5-6,8-9,16,20H,1-4,7,10-12H2,(H,18,19)/t16-/m1/s1
InChIKeyVLAHNPBDZPBYFT-MRXNPFEDSA-N
MW277.36 g/mol
LogP2.92
Rot. Bonds8

About 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid

8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid (PubChem CID 58665157) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid.

Molecular Properties

Compound Name8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid
PubChem CID58665157
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid
SMILESO=C(O)CCCCCCCN1Cc2ccccc2[C@H]1O
InChIInChI=1S/C16H23NO3/c18-15(19)10-4-2-1-3-7-11-17-12-13-8-5-6-9-14(13)16(17)20/h5-6,8-9,16,20H,1-4,7,10-12H2,(H,18,19)/t16-/m1/s1
InChIKeyVLAHNPBDZPBYFT-MRXNPFEDSA-N
XLogP2.92
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic 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

5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 119135408
5-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]pentanoic acid
CID 99820445
6-(9H-acridin-10-yl)hexanoic acid
CID 66643396
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
6-(9-cyano-9H-acridin-10-yl)hexanoic acid
CID 66643419
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoic acid;hydrochloride
CID 44558536
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoic acid
CID 7096678
6-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)hexanoic acid
CID 4869128
8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid
CID 22662976

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid?
The IUPAC name of 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid (CID 58665157) is 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid.
What is the SMILES notation for 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid?
The canonical SMILES for 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid is O=C(O)CCCCCCCN1Cc2ccccc2[C@H]1O.
What is the InChIKey of 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid?
The InChIKey is VLAHNPBDZPBYFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO3/c18-15(19)10-4-2-1-3-7-11-17-12-13-8-5-6-9-14(13)16(17)20/h5-6,8-9,16,20H,1-4,7,10-12H2,(H,18,19)/t16-/m1/s1.
What are the key properties of 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid?
8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-hydroxy-1,3-dihydroisoindol-2-yl]octanoic acid is sourced from PubChem (CID 58665157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).