7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid

C19H35NO5 — CID 58804758

IUPAC7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid
SMILESCCCOCC(O)CC[C@H]1CCCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C19H35NO5/c1-2-14-25-15-17(21)12-11-16-8-7-9-18(22)20(16)13-6-4-3-5-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16-,17?/m1/s1
InChIKeyUGJYKTHHRRUWGR-TZHYSIJRSA-N
MW357.49 g/mol
LogP2.97
Rot. Bonds14

About 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid

7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid (PubChem CID 58804758) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid
PubChem CID58804758
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid
SMILESCCCOCC(O)CC[C@H]1CCCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C19H35NO5/c1-2-14-25-15-17(21)12-11-16-8-7-9-18(22)20(16)13-6-4-3-5-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16-,17?/m1/s1
InChIKeyUGJYKTHHRRUWGR-TZHYSIJRSA-N
XLogP2.97
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid?
The IUPAC name of 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid (CID 58804758) is 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid is CCCOCC(O)CC[C@H]1CCCC(=O)N1CCCCCCC(=O)O.
What is the InChIKey of 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid?
The InChIKey is UGJYKTHHRRUWGR-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H35NO5/c1-2-14-25-15-17(21)12-11-16-8-7-9-18(22)20(16)13-6-4-3-5-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16-,17?/m1/s1.
What are the key properties of 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid?
7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid has a molecular weight of 357.49 g/mol, XLogP of 2.97, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid is sourced from PubChem (CID 58804758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).