7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid

C22H31NO4 — CID 44269596

IUPAC7-[(2R)-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
SMILESC1CC(=O)N([C@H]1/C=C/C(CCC2=CC=CC=C2)O)CCCCCCC(=O)O
InChIInChI=1S/C22H31NO4/c24-20(14-11-18-8-4-3-5-9-18)15-12-19-13-16-21(25)23(19)17-7-2-1-6-10-22(26)27/h3-5,8-9,12,15,19-20,24H,1-2,6-7,10-11,13-14,16-17H2,(H,26,27)/b15-12+/t19-,20?/m0/s1
InChIKeyGDVRZKITCJWGMS-KWBANXLOSA-N
MW373.50 g/mol
LogP2.90
Rot. Bonds12

About 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid

7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid (PubChem CID 44269596) has the molecular formula C22H31NO4 and a molecular weight of 373.50 g/mol. Its IUPAC name is 7-[(2R)-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
PubChem CID44269596
Molecular FormulaC22H31NO4
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name7-[(2R)-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
SMILESC1CC(=O)N([C@H]1/C=C/C(CCC2=CC=CC=C2)O)CCCCCCC(=O)O
InChIInChI=1S/C22H31NO4/c24-20(14-11-18-8-4-3-5-9-18)15-12-19-13-16-21(25)23(19)17-7-2-1-6-10-22(26)27/h3-5,8-9,12,15,19-20,24H,1-2,6-7,10-11,13-14,16-17H2,(H,26,27)/b15-12+/t19-,20?/m0/s1
InChIKeyGDVRZKITCJWGMS-KWBANXLOSA-N
XLogP2.90
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity485

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 9821171
7-[(2R)-2-[(E,3S)-4-(3-fluorophenyl)-3-hydroxybut-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid
CID 10000670
4-(2-((R)-2-((S)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate
CID 10291963
4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate
CID 44442327
4-[2-[(2R)-2-[(E,3S)-3-hydroxynon-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 44455236
4-(2-((R)-2-((S,E)-5-cyclobutyl-3-hydroxypent-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid
CID 11440167
Preussin G
CID 145971659
7-((S)-2-(3-hydroxy-4-phenylbutyl)-5-oxopyrrolidin-1-yl)heptanoic acid
CID 9820333
7-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phenyl)butyl)-5-oxopyrrolidin-1-yl)heptanoic acid
CID 10113454
7-{(R)-2-[(E)-(S)-3-Hydroxy-4-(3-trifluoromethyl-phenyl)-but-1-enyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
CID 10202765
2-[3-[[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 10271903
7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid
CID 10384865

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid?
The IUPAC name of 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid (CID 44269596) is 7-[(2R)-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid?
The canonical SMILES for 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid is C1CC(=O)N([C@H]1/C=C/C(CCC2=CC=CC=C2)O)CCCCCCC(=O)O.
What is the InChIKey of 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid?
The InChIKey is GDVRZKITCJWGMS-KWBANXLOSA-N. The full InChI is InChI=1S/C22H31NO4/c24-20(14-11-18-8-4-3-5-9-18)15-12-19-13-16-21(25)23(19)17-7-2-1-6-10-22(26)27/h3-5,8-9,12,15,19-20,24H,1-2,6-7,10-11,13-14,16-17H2,(H,26,27)/b15-12+/t19-,20?/m0/s1.
What are the key properties of 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid?
7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid has a molecular weight of 373.50 g/mol, XLogP of 2.90, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid is sourced from PubChem (CID 44269596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).