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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Related Compounds

7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
CID 66993814
7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid
CID 59659393
methyl 7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]hept-5-enoate
CID 77246889
7-[(1R,2R,3R)-2-[3-(1-butylcyclobutyl)-3-hydroxypropyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 22797916
(Z)-7-[(2S,3R)-1-[(4R)-4-(1-butylcyclobutyl)-4-hydroxybutyl]-3-chloropyrrolidin-2-yl]hept-5-enoic acid;(Z)-7-[(2S,3R)-1-[(4S)-4-(1-butylcyclobutyl)-4-hydroxybutyl]-3-chloropyrrolidin-2-yl]hept-5-enoic acid
CID 160731026
(Z)-7-[(2S,3R)-3-chloro-1-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]pyrrolidin-2-yl]hept-5-enoic acid
CID 10172769
7-[(1R,2R)-5-chloro-2-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]-3-hydroxycyclopentyl]heptanoic acid
CID 59956958
10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556
7-[(4R)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 11451483
7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788638
(Z)-7-[(1R,2R,3R)-2-[(E)-4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybut-1-enyl]-3-methoxy-5-oxocyclopentyl]hept-5-enoic acid
CID 70011682
9-[(1R)-2-[(E,3R)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopentyl]nonanoic acid
CID 90673488

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).