7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid

C23H39NO4 — CID 10150673

IUPAC7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CCN1CCCC(O)C1(CC2CC2)CCC1
InChIInChI=1S/C23H39NO4/c25-20-12-16-24(19(20)7-3-1-2-4-9-22(27)28)15-5-8-21(26)23(13-6-14-23)17-18-10-11-18/h18-19,21,26H,1-17H2,(H,27,28)
InChIKeyJGHWPUQGDCHPGD-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.17
Rot. Bonds14

About 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid

7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid (PubChem CID 10150673) has the molecular formula C23H39NO4 and a molecular weight of 393.57 g/mol. Its IUPAC name is 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
PubChem CID10150673
Molecular FormulaC23H39NO4
Molecular Weight393.57 g/mol
Exact Mass393.29
IUPAC Name7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CCN1CCCC(O)C1(CC2CC2)CCC1
InChIInChI=1S/C23H39NO4/c25-20-12-16-24(19(20)7-3-1-2-4-9-22(27)28)15-5-8-21(26)23(13-6-14-23)17-18-10-11-18/h18-19,21,26H,1-17H2,(H,27,28)
InChIKeyJGHWPUQGDCHPGD-UHFFFAOYSA-N
XLogP4.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.17
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-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
The IUPAC name of 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid (CID 10150673) is 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid.
What is the SMILES notation for 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
The canonical SMILES for 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid is O=C(O)CCCCCCC1C(=O)CCN1CCCC(O)C1(CC2CC2)CCC1.
What is the InChIKey of 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
The InChIKey is JGHWPUQGDCHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO4/c25-20-12-16-24(19(20)7-3-1-2-4-9-22(27)28)15-5-8-21(26)23(13-6-14-23)17-18-10-11-18/h18-19,21,26H,1-17H2,(H,27,28).
What are the key properties of 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid has a molecular weight of 393.57 g/mol, XLogP of 4.17, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid is sourced from PubChem (CID 10150673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).