2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid

C16H27NO5 — CID 54102526

IUPAC2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid
SMILESCCCCCCC(OC(=O)[C@@H]1CCC(=O)N1CCC)C(=O)O
InChIInChI=1S/C16H27NO5/c1-3-5-6-7-8-13(15(19)20)22-16(21)12-9-10-14(18)17(12)11-4-2/h12-13H,3-11H2,1-2H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyNBMUYUOYHADZKN-UEWDXFNNSA-N
MW313.39 g/mol
LogP2.35
Rot. Bonds10

About 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid

2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid (PubChem CID 54102526) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid.

Molecular Properties

Compound Name2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid
PubChem CID54102526
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid
SMILESCCCCCCC(OC(=O)[C@@H]1CCC(=O)N1CCC)C(=O)O
InChIInChI=1S/C16H27NO5/c1-3-5-6-7-8-13(15(19)20)22-16(21)12-9-10-14(18)17(12)11-4-2/h12-13H,3-11H2,1-2H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyNBMUYUOYHADZKN-UEWDXFNNSA-N
XLogP2.35
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid?
The IUPAC name of 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid (CID 54102526) is 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid.
What is the SMILES notation for 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid?
The canonical SMILES for 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid is CCCCCCC(OC(=O)[C@@H]1CCC(=O)N1CCC)C(=O)O.
What is the InChIKey of 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid?
The InChIKey is NBMUYUOYHADZKN-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H27NO5/c1-3-5-6-7-8-13(15(19)20)22-16(21)12-9-10-14(18)17(12)11-4-2/h12-13H,3-11H2,1-2H3,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid?
2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid has a molecular weight of 313.39 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxo-1-propylpyrrolidine-2-carbonyl]oxyoctanoic acid is sourced from PubChem (CID 54102526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).