7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid

C20H35NO4 — CID 11646062

IUPAC7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1CCC(=O)N1CC[C@H](O)C1CCCCC1
InChIInChI=1S/C20H35NO4/c22-18(16-8-4-3-5-9-16)14-15-21-17(12-13-19(21)23)10-6-1-2-7-11-20(24)25/h16-18,22H,1-15H2,(H,24,25)/t17-,18-/m0/s1
InChIKeyRQZGGEYNNCSJJF-ROUUACIJSA-N
MW353.50 g/mol
LogP3.73
Rot. Bonds11

About 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid

7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid (PubChem CID 11646062) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid
PubChem CID11646062
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1CCC(=O)N1CC[C@H](O)C1CCCCC1
InChIInChI=1S/C20H35NO4/c22-18(16-8-4-3-5-9-16)14-15-21-17(12-13-19(21)23)10-6-1-2-7-11-20(24)25/h16-18,22H,1-15H2,(H,24,25)/t17-,18-/m0/s1
InChIKeyRQZGGEYNNCSJJF-ROUUACIJSA-N
XLogP3.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.73
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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Related Compounds

7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid
CID 44269516
7-[(S)-2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269486
7-[(R)-2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269464
7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid
CID 11653267
7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
CID 13251058
tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 18655660
7-[3-(3-Cyclopentyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
CID 20272759
Methyl 7-[3-(3-cyclopentyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoate
CID 20272760
7-[3-(3-Cycloheptyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
CID 20272763
7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-thiazolidin-4-yl]heptanoic acid
CID 20272766
Ethyl 7-[3-hydroxy-1-(3-hydroxy-3-methyldecyl)-5-oxopyrrolidin-2-yl]heptanoate
CID 20563079
7-[3-Hydroxy-1-(3-hydroxy-3-methyldecyl)-5-oxopyrrolidin-2-yl]heptanoic acid
CID 20563083

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
The IUPAC name of 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid (CID 11646062) is 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid.
What is the SMILES notation for 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
The canonical SMILES for 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid is O=C(O)CCCCCC[C@H]1CCC(=O)N1CC[C@H](O)C1CCCCC1.
What is the InChIKey of 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
The InChIKey is RQZGGEYNNCSJJF-ROUUACIJSA-N. The full InChI is InChI=1S/C20H35NO4/c22-18(16-8-4-3-5-9-16)14-15-21-17(12-13-19(21)23)10-6-1-2-7-11-20(24)25/h16-18,22H,1-15H2,(H,24,25)/t17-,18-/m0/s1.
What are the key properties of 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid has a molecular weight of 353.50 g/mol, XLogP of 3.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid is sourced from PubChem (CID 11646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).