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

C20H35NO4 — CID 11653267

IUPAC7-[(2S)-1-[(3R)-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-ZWKOTPCHSA-N
MW353.50 g/mol
LogP3.73
Rot. Bonds11

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

7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid (PubChem CID 11653267) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is 7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid
PubChem CID11653267
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name7-[(2S)-1-[(3R)-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-ZWKOTPCHSA-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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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
The IUPAC name of 7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid (CID 11653267) is 7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid.
What is the SMILES notation for 7-[(2S)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
The canonical SMILES for 7-[(2S)-1-[(3R)-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-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
The InChIKey is RQZGGEYNNCSJJF-ZWKOTPCHSA-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-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid?
7-[(2S)-1-[(3R)-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-[(3R)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidin-2-yl]heptanoic acid is sourced from PubChem (CID 11653267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).