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'}

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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).