7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid

C22H33NO4 — CID 71458060

IUPAC7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)CCc1ccccc1
InChIInChI=1S/C22H33NO4/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/h3-5,8-9,19-20,24H,1-2,6-7,10-17H2,(H,26,27)/t19-,20-/m0/s1
InChIKeyZGLFHZRPCUXQIP-PMACEKPBSA-N
MW375.51 g/mol
LogP3.79
Rot. Bonds13

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

7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid (PubChem CID 71458060) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid
PubChem CID71458060
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)CCc1ccccc1
InChIInChI=1S/C22H33NO4/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/h3-5,8-9,19-20,24H,1-2,6-7,10-17H2,(H,26,27)/t19-,20-/m0/s1
InChIKeyZGLFHZRPCUXQIP-PMACEKPBSA-N
XLogP3.79
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.79
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)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid?
The IUPAC name of 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid (CID 71458060) is 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid is O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)CCc1ccccc1.
What is the InChIKey of 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid?
The InChIKey is ZGLFHZRPCUXQIP-PMACEKPBSA-N. The full InChI is InChI=1S/C22H33NO4/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/h3-5,8-9,19-20,24H,1-2,6-7,10-17H2,(H,26,27)/t19-,20-/m0/s1.
What are the key properties of 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid?
7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid has a molecular weight of 375.51 g/mol, XLogP of 3.79, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid is sourced from PubChem (CID 71458060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).