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

C22H37NO4 — CID 66993814

IUPAC7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CCN1CCCC(O)C1(CC2CC2)CC1
InChIInChI=1S/C22H37NO4/c24-19-11-15-23(18(19)6-3-1-2-4-8-21(26)27)14-5-7-20(25)22(12-13-22)16-17-9-10-17/h17-18,20,25H,1-16H2,(H,26,27)
InChIKeyWVTHGXUGHSPXMU-UHFFFAOYSA-N
MW379.54 g/mol
LogP3.78
Rot. Bonds14

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

7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid (PubChem CID 66993814) has the molecular formula C22H37NO4 and a molecular weight of 379.54 g/mol. Its IUPAC name is 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
PubChem CID66993814
Molecular FormulaC22H37NO4
Molecular Weight379.54 g/mol
Exact Mass379.27
IUPAC Name7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CCN1CCCC(O)C1(CC2CC2)CC1
InChIInChI=1S/C22H37NO4/c24-19-11-15-23(18(19)6-3-1-2-4-8-21(26)27)14-5-7-20(25)22(12-13-22)16-17-9-10-17/h17-18,20,25H,1-16H2,(H,26,27)
InChIKeyWVTHGXUGHSPXMU-UHFFFAOYSA-N
XLogP3.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 53.78
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)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
The IUPAC name of 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid (CID 66993814) is 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid.
What is the SMILES notation for 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
The canonical SMILES for 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid is O=C(O)CCCCCCC1C(=O)CCN1CCCC(O)C1(CC2CC2)CC1.
What is the InChIKey of 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
The InChIKey is WVTHGXUGHSPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4/c24-19-11-15-23(18(19)6-3-1-2-4-8-21(26)27)14-5-7-20(25)22(12-13-22)16-17-9-10-17/h17-18,20,25H,1-16H2,(H,26,27).
What are the key properties of 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid?
7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid has a molecular weight of 379.54 g/mol, XLogP of 3.78, 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)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid is sourced from PubChem (CID 66993814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).